From 2c643b7dc5ab09ff91fac61c5fb008017a2b4b78 Mon Sep 17 00:00:00 2001 From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Tue, 12 Jan 2010 01:37:48 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@3655 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/ASPHERE/Install.csh | 7 +- src/ASPHERE/atom_vec_ellipsoid.h | 11 +- src/ASPHERE/compute_erotate_asphere.h | 11 +- src/ASPHERE/compute_temp_asphere.h | 11 +- src/ASPHERE/fix_npt_asphere.h | 11 +- src/ASPHERE/fix_nve_asphere.h | 11 +- src/ASPHERE/fix_nvt_asphere.h | 11 +- src/ASPHERE/pair_gayberne.h | 11 +- src/ASPHERE/pair_resquared.h | 11 +- src/ASPHERE/style_asphere.h | 52 --- src/CLASS2/Install.csh | 5 - src/CLASS2/angle_class2.h | 11 +- src/CLASS2/bond_class2.h | 11 +- src/CLASS2/dihedral_class2.h | 11 +- src/CLASS2/improper_class2.h | 11 +- src/CLASS2/pair_lj_class2.h | 11 +- src/CLASS2/pair_lj_class2_coul_cut.h | 11 +- src/CLASS2/pair_lj_class2_coul_long.h | 11 +- src/CLASS2/style_class2.h | 56 --- src/COLLOID/Install.csh | 5 - src/COLLOID/atom_vec_colloid.h | 11 +- src/COLLOID/fix_wall_colloid.h | 11 +- src/COLLOID/pair_colloid.h | 11 +- src/COLLOID/pair_lubricate.h | 11 +- src/COLLOID/pair_yukawa_colloid.h | 11 +- src/COLLOID/style_colloid.h | 40 -- src/DIPOLE/Install.csh | 5 - src/DIPOLE/atom_vec_dipole.h | 11 +- src/DIPOLE/pair_dipole_cut.h | 11 +- src/DIPOLE/style_dipole.h | 28 -- src/DSMC/Install.csh | 5 - src/DSMC/pair_dsmc.h | 11 +- src/DSMC/style_dsmc.h | 20 - src/GPU/Install.csh | 10 - src/GPU/pair_gayberne_gpu.h | 11 +- src/GPU/pair_lj_cut_gpu.h | 11 +- src/GPU/style_gpu.h | 41 -- src/GRANULAR/Install.csh | 5 - src/GRANULAR/atom_vec_granular.h | 11 +- src/GRANULAR/fix_freeze.h | 11 +- src/GRANULAR/fix_pour.h | 11 +- src/GRANULAR/fix_wall_gran.h | 11 +- src/GRANULAR/pair_gran_hertz_history.h | 11 +- src/GRANULAR/pair_gran_hooke.h | 11 +- src/GRANULAR/pair_gran_hooke_history.h | 11 +- src/GRANULAR/style_granular.h | 46 -- src/KSPACE/Install.csh | 7 +- src/KSPACE/ewald.h | 13 +- src/KSPACE/fft3d_wrap.h | 4 +- src/KSPACE/pair_born_coul_long.h | 11 +- src/KSPACE/pair_buck_coul_long.h | 11 +- src/KSPACE/pair_coul_long.h | 11 +- src/KSPACE/pair_lj_charmm_coul_long.h | 11 +- src/KSPACE/pair_lj_cut_coul_long.h | 11 +- src/KSPACE/pair_lj_cut_coul_long_tip4p.h | 11 +- src/KSPACE/pppm.h | 11 +- src/KSPACE/pppm_tip4p.h | 11 +- src/KSPACE/remap_wrap.h | 4 +- src/KSPACE/style_kspace.h | 42 -- src/MANYBODY/Install.csh | 7 +- src/MANYBODY/pair_airebo.h | 11 +- src/MANYBODY/pair_eam.h | 11 +- src/MANYBODY/pair_eam_alloy.h | 11 +- src/MANYBODY/pair_eam_fs.h | 11 +- src/MANYBODY/pair_sw.h | 11 +- src/MANYBODY/pair_tersoff.h | 11 +- src/MANYBODY/pair_tersoff_zbl.h | 11 +- src/MANYBODY/style_manybody.h | 32 -- src/MEAM/Install.csh | 5 - src/MEAM/pair_meam.h | 11 +- src/MEAM/style_meam.h | 20 - src/MOLECULE/Install.csh | 5 - src/MOLECULE/angle_charmm.h | 11 +- src/MOLECULE/angle_cosine.h | 11 +- src/MOLECULE/angle_cosine_delta.h | 11 +- src/MOLECULE/angle_cosine_squared.h | 11 +- src/MOLECULE/angle_harmonic.h | 11 +- src/MOLECULE/angle_hybrid.h | 11 +- src/MOLECULE/angle_table.h | 11 +- src/MOLECULE/atom_vec_angle.h | 11 +- src/MOLECULE/atom_vec_bond.h | 11 +- src/MOLECULE/atom_vec_full.h | 11 +- src/MOLECULE/atom_vec_molecular.h | 11 +- src/MOLECULE/bond_fene.h | 11 +- src/MOLECULE/bond_fene_expand.h | 11 +- src/MOLECULE/bond_harmonic.h | 11 +- src/MOLECULE/bond_morse.h | 11 +- src/MOLECULE/bond_nonlinear.h | 11 +- src/MOLECULE/bond_quartic.h | 11 +- src/MOLECULE/bond_table.h | 11 +- src/MOLECULE/dihedral_charmm.h | 11 +- src/MOLECULE/dihedral_harmonic.h | 11 +- src/MOLECULE/dihedral_helix.h | 11 +- src/MOLECULE/dihedral_hybrid.h | 11 +- src/MOLECULE/dihedral_multi_harmonic.h | 11 +- src/MOLECULE/dihedral_opls.h | 11 +- src/MOLECULE/fix_bond_break.h | 11 +- src/MOLECULE/fix_bond_create.h | 11 +- src/MOLECULE/fix_bond_swap.h | 11 +- src/MOLECULE/improper_cvff.h | 11 +- src/MOLECULE/improper_harmonic.h | 11 +- src/MOLECULE/improper_hybrid.h | 11 +- src/MOLECULE/pair_lj_charmm_coul_charmm.h | 11 +- .../pair_lj_charmm_coul_charmm_implicit.h | 11 +- src/MOLECULE/style_molecule.h | 120 ----- src/Make.csh | 298 ++++++++++++- src/Makefile | 3 +- src/Makefile.package | 10 +- src/OPT/Install.csh | 14 - src/OPT/pair_eam_alloy_opt.h | 11 +- src/OPT/pair_eam_fs_opt.h | 11 +- src/OPT/pair_eam_opt.h | 11 +- src/OPT/pair_lj_charmm_coul_long_opt.h | 11 +- src/OPT/pair_lj_cut_opt.h | 11 +- src/OPT/pair_morse_opt.h | 11 +- src/OPT/style_opt.h | 30 -- src/PERI/Install.csh | 5 - src/PERI/atom_vec_peri.h | 11 +- src/PERI/compute_damage_atom.h | 11 +- src/PERI/fix_peri_neigh.h | 11 +- src/PERI/pair_peri_pmb.h | 11 +- src/PERI/style_peri.h | 45 -- src/POEMS/Install.csh | 5 - src/POEMS/fix_poems.h | 11 +- src/POEMS/style_poems.h | 20 - src/PRD/Install.csh | 5 - src/PRD/compute_event_displace.h | 11 +- src/PRD/fix_event.h | 11 +- src/PRD/prd.h | 11 +- src/PRD/style_prd.h | 36 -- src/REAX/Install.csh | 5 - src/REAX/fix_reax_bonds.h | 11 +- src/REAX/pair_reax.h | 11 +- src/REAX/style_reax.h | 28 -- src/USER-ACKLAND/Install.csh | 5 - src/USER-ACKLAND/compute_ackland_atom.h | 11 +- src/USER-ACKLAND/style_user_ackland.h | 20 - src/USER-ATC/Install.csh | 5 - src/USER-ATC/fix_atc.h | 11 +- src/USER-ATC/style_user_atc.h | 20 - src/USER-CD-EAM/Install.csh | 5 - src/USER-CD-EAM/pair_cdeam.h | 12 +- src/USER-CD-EAM/style_user_cd_eam.h | 21 - src/USER-CG-CMM/Install.csh | 5 - src/USER-CG-CMM/angle_cg_cmm.h | 13 +- src/USER-CG-CMM/cg_cmm_parms.h | 4 +- src/USER-CG-CMM/pair_cg_cmm.h | 11 +- src/USER-CG-CMM/pair_cg_cmm_coul_cut.h | 11 +- src/USER-CG-CMM/pair_cg_cmm_coul_long.h | 11 +- src/USER-CG-CMM/pair_cmm_common.h | 4 +- src/USER-CG-CMM/style_user_cg_cmm.h | 32 -- src/USER-EWALDN/Install.csh | 5 - src/USER-EWALDN/ewald_n.h | 12 +- src/USER-EWALDN/math_complex.h | 4 +- src/USER-EWALDN/math_vector.h | 4 +- src/USER-EWALDN/pair_buck_coul.h | 11 +- src/USER-EWALDN/pair_lj_coul.h | 11 +- src/USER-EWALDN/style_user_ewaldn.h | 30 -- src/USER-IMD/Install.csh | 5 - src/USER-IMD/fix_imd.h | 12 +- src/USER-IMD/style_user_imd.h | 20 - src/USER-SMD/Install.csh | 5 - src/USER-SMD/fix_smd.h | 11 +- src/USER-SMD/style_user_smd.h | 20 - src/XTC/Install.csh | 5 - src/XTC/dump_xtc.h | 11 +- src/XTC/style_xtc.h | 20 - src/XTC/xdr_compat.h | 14 +- src/angle.h | 4 +- src/atom.cpp | 11 +- src/atom.h | 4 +- src/atom_vec.h | 4 +- src/atom_vec_atomic.h | 11 +- src/atom_vec_charge.h | 11 +- src/atom_vec_hybrid.h | 11 +- src/bond.h | 4 +- src/bond_hybrid.h | 11 +- src/change_box.h | 11 +- src/comm.h | 4 +- src/compute.h | 4 +- src/compute_angle_local.h | 11 +- src/compute_bond_local.h | 11 +- src/compute_centro_atom.h | 11 +- src/compute_cna_atom.h | 11 +- src/compute_com.h | 11 +- src/compute_com_molecule.h | 11 +- src/compute_coord_atom.h | 11 +- src/compute_dihedral_local.h | 11 +- src/compute_displace_atom.h | 11 +- src/compute_erotate_sphere.h | 11 +- src/compute_group_group.h | 11 +- src/compute_gyration.h | 11 +- src/compute_gyration_molecule.h | 11 +- src/compute_heat_flux.h | 11 +- src/compute_improper_local.h | 11 +- src/compute_ke.h | 11 +- src/compute_ke_atom.h | 11 +- src/compute_msd.h | 11 +- src/compute_msd_molecule.h | 11 +- src/compute_pair_local.h | 11 +- src/compute_pe.h | 11 +- src/compute_pe_atom.h | 11 +- src/compute_pressure.h | 11 +- src/compute_property_atom.h | 11 +- src/compute_property_local.h | 11 +- src/compute_property_molecule.h | 11 +- src/compute_rdf.h | 11 +- src/compute_reduce.h | 11 +- src/compute_reduce_region.h | 11 +- src/compute_stress_atom.h | 11 +- src/compute_temp.h | 11 +- src/compute_temp_com.h | 11 +- src/compute_temp_deform.h | 11 +- src/compute_temp_partial.h | 11 +- src/compute_temp_profile.h | 11 +- src/compute_temp_ramp.h | 11 +- src/compute_temp_region.h | 11 +- src/compute_temp_sphere.h | 11 +- src/create_atoms.h | 11 +- src/create_box.h | 11 +- src/delete_atoms.h | 11 +- src/delete_bonds.h | 11 +- src/dihedral.h | 4 +- src/displace_atoms.h | 11 +- src/displace_box.h | 11 +- src/domain.cpp | 11 +- src/domain.h | 4 +- src/dump.h | 4 +- src/dump_atom.h | 11 +- src/dump_cfg.h | 11 +- src/dump_custom.h | 11 +- src/dump_dcd.h | 11 +- src/dump_local.h | 11 +- src/dump_xyz.h | 11 +- src/error.h | 4 +- src/finish.h | 4 +- src/fix.h | 4 +- src/fix_addforce.h | 11 +- src/fix_ave_atom.h | 11 +- src/fix_ave_histo.h | 11 +- src/fix_ave_spatial.h | 11 +- src/fix_ave_time.h | 11 +- src/fix_aveforce.h | 11 +- src/fix_box_relax.h | 11 +- src/fix_deform.h | 11 +- src/fix_deposit.h | 11 +- src/fix_drag.h | 11 +- src/fix_dt_reset.h | 11 +- src/fix_efield.h | 11 +- src/fix_enforce2d.h | 11 +- src/fix_evaporate.h | 11 +- src/fix_gravity.h | 11 +- src/fix_heat.h | 11 +- src/fix_indent.h | 11 +- src/fix_langevin.h | 11 +- src/fix_lineforce.h | 11 +- src/fix_minimize.h | 11 +- src/fix_momentum.h | 11 +- src/fix_move.h | 11 +- src/fix_nph.h | 11 +- src/fix_npt.h | 11 +- src/fix_npt_sphere.h | 11 +- src/fix_nve.h | 11 +- src/fix_nve_limit.h | 11 +- src/fix_nve_noforce.h | 11 +- src/fix_nve_sphere.h | 11 +- src/fix_nvt.h | 11 +- src/fix_nvt_sllod.h | 11 +- src/fix_nvt_sphere.h | 11 +- src/fix_orient_fcc.h | 11 +- src/fix_planeforce.h | 11 +- src/fix_press_berendsen.h | 11 +- src/fix_print.h | 11 +- src/fix_recenter.h | 11 +- src/fix_respa.h | 11 +- src/fix_rigid.h | 11 +- src/fix_set_force.h | 11 +- src/fix_shake.h | 11 +- src/fix_shear_history.h | 11 +- src/fix_spring.h | 11 +- src/fix_spring_rg.h | 11 +- src/fix_spring_self.h | 11 +- src/fix_store_coord.h | 11 +- src/fix_store_force.h | 11 +- src/fix_temp_berendsen.h | 11 +- src/fix_temp_rescale.h | 11 +- src/fix_thermal_conductivity.h | 11 +- src/fix_tmd.h | 11 +- src/fix_ttm.h | 11 +- src/fix_viscosity.h | 11 +- src/fix_viscous.h | 11 +- src/fix_wall.h | 4 +- src/fix_wall_harmonic.h | 11 +- src/fix_wall_lj126.h | 11 +- src/fix_wall_lj93.h | 11 +- src/fix_wall_reflect.h | 11 +- src/fix_wall_region.h | 11 +- src/force.cpp | 56 +-- src/force.h | 4 +- src/group.h | 4 +- src/improper.h | 4 +- src/input.cpp | 11 +- src/input.h | 4 +- src/integrate.h | 4 +- src/kspace.h | 4 +- src/lammps.h | 4 +- src/lattice.h | 4 +- src/math_extra.h | 4 +- src/memory.h | 4 +- src/min.h | 4 +- src/min_cg.h | 11 +- src/min_hftn.h | 11 +- src/min_linesearch.h | 4 +- src/min_sd.h | 11 +- src/minimize.h | 11 +- src/modify.cpp | 19 +- src/modify.h | 4 +- src/neigh_list.h | 4 +- src/neigh_request.h | 4 +- src/neighbor.h | 4 +- src/output.cpp | 11 +- src/output.h | 4 +- src/pair.h | 4 +- src/pair_buck.h | 11 +- src/pair_buck_coul_cut.h | 11 +- src/pair_coul_cut.h | 11 +- src/pair_coul_debye.h | 11 +- src/pair_dpd.h | 11 +- src/pair_hybrid.h | 11 +- src/pair_hybrid_overlay.h | 11 +- src/pair_lj96_cut.h | 11 +- src/pair_lj_cut.h | 11 +- src/pair_lj_cut_coul_cut.h | 11 +- src/pair_lj_cut_coul_debye.h | 11 +- src/pair_lj_expand.h | 11 +- src/pair_lj_gromacs.h | 11 +- src/pair_lj_gromacs_coul_gromacs.h | 11 +- src/pair_lj_smooth.h | 11 +- src/pair_morse.h | 11 +- src/pair_soft.h | 11 +- src/pair_table.h | 11 +- src/pair_yukawa.h | 11 +- src/pointers.h | 4 +- src/random_mars.h | 4 +- src/random_park.h | 4 +- src/read_data.h | 11 +- src/read_restart.h | 11 +- src/region.h | 4 +- src/region_block.h | 11 +- src/region_cone.h | 11 +- src/region_cylinder.h | 11 +- src/region_intersect.h | 11 +- src/region_plane.h | 11 +- src/region_prism.h | 11 +- src/region_sphere.h | 11 +- src/region_union.h | 11 +- src/replicate.h | 11 +- src/respa.h | 11 +- src/run.h | 11 +- src/set.h | 11 +- src/shell.h | 11 +- src/special.h | 4 +- src/style.h | 412 ------------------ src/style_asphere.h | 52 --- src/style_class2.h | 56 --- src/style_colloid.h | 40 -- src/style_dipole.h | 28 -- src/style_dpd.h | 28 -- src/style_granular.h | 46 -- src/style_kspace.h | 42 -- src/style_manybody.h | 32 -- src/style_meam.h | 20 - src/style_molecule.h | 120 ----- src/style_opt.h | 30 -- src/style_packages.h | 32 -- src/style_poems.h | 20 - src/style_user.h | 101 ----- src/style_user_ackland.h | 0 src/style_user_ewaldn.h | 0 src/style_user_packages.h | 23 - src/style_xtc.h | 20 - src/temper.h | 11 +- src/thermo.h | 4 +- src/timer.h | 4 +- src/universe.h | 4 +- src/update.cpp | 20 +- src/update.h | 4 +- src/variable.h | 4 +- src/velocity.h | 11 +- src/verlet.h | 11 +- src/write_restart.h | 10 +- 391 files changed, 2856 insertions(+), 2809 deletions(-) delete mode 100644 src/ASPHERE/style_asphere.h delete mode 100644 src/CLASS2/style_class2.h delete mode 100644 src/COLLOID/style_colloid.h delete mode 100644 src/DIPOLE/style_dipole.h delete mode 100644 src/DSMC/style_dsmc.h delete mode 100644 src/GPU/style_gpu.h delete mode 100644 src/GRANULAR/style_granular.h delete mode 100644 src/KSPACE/style_kspace.h delete mode 100644 src/MANYBODY/style_manybody.h delete mode 100644 src/MEAM/style_meam.h delete mode 100644 src/MOLECULE/style_molecule.h delete mode 100644 src/OPT/style_opt.h delete mode 100644 src/PERI/style_peri.h delete mode 100644 src/POEMS/style_poems.h delete mode 100644 src/PRD/style_prd.h delete mode 100644 src/REAX/style_reax.h delete mode 100644 src/USER-ACKLAND/style_user_ackland.h delete mode 100644 src/USER-ATC/style_user_atc.h delete mode 100755 src/USER-CD-EAM/style_user_cd_eam.h delete mode 100644 src/USER-CG-CMM/style_user_cg_cmm.h delete mode 100644 src/USER-EWALDN/style_user_ewaldn.h delete mode 100644 src/USER-IMD/style_user_imd.h delete mode 100644 src/USER-SMD/style_user_smd.h delete mode 100644 src/XTC/style_xtc.h delete mode 100644 src/style.h delete mode 100644 src/style_asphere.h delete mode 100644 src/style_class2.h delete mode 100644 src/style_colloid.h delete mode 100644 src/style_dipole.h delete mode 100644 src/style_dpd.h delete mode 100644 src/style_granular.h delete mode 100644 src/style_kspace.h delete mode 100644 src/style_manybody.h delete mode 100644 src/style_meam.h delete mode 100644 src/style_molecule.h delete mode 100644 src/style_opt.h delete mode 100644 src/style_packages.h delete mode 100644 src/style_poems.h delete mode 100644 src/style_user.h delete mode 100644 src/style_user_ackland.h delete mode 100644 src/style_user_ewaldn.h delete mode 100644 src/style_user_packages.h delete mode 100644 src/style_xtc.h diff --git a/src/ASPHERE/Install.csh b/src/ASPHERE/Install.csh index e2721ee724..d06183e829 100644 --- a/src/ASPHERE/Install.csh +++ b/src/ASPHERE/Install.csh @@ -5,8 +5,6 @@ if ($1 == 1) then - cp style_asphere.h .. - cp atom_vec_ellipsoid.cpp .. cp compute_erotate_asphere.cpp .. cp compute_temp_asphere.cpp .. @@ -27,9 +25,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_asphere.h - touch ../style_asphere.h - rm ../atom_vec_ellipsoid.cpp rm ../compute_erotate_asphere.cpp rm ../compute_temp_asphere.cpp @@ -48,7 +43,7 @@ else if ($1 == 0) then rm ../pair_gayberne.h rm ../pair_resquared.h - if (! -z ../style_gpu.h) then + if (-e ../pair_gayberne_gpu.h) then cd ../GPU; csh -f Install.csh 0; csh -f Install.csh 1 endif diff --git a/src/ASPHERE/atom_vec_ellipsoid.h b/src/ASPHERE/atom_vec_ellipsoid.h index f517081b71..4f6967f4bd 100755 --- a/src/ASPHERE/atom_vec_ellipsoid.h +++ b/src/ASPHERE/atom_vec_ellipsoid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_ELLIPSOID_H -#define ATOM_VEC_ELLIPSOID_H +#ifdef ATOM_CLASS + +AtomStyle(ellipsoid,AtomVecEllipsoid) + +#else + +#ifndef LMP_ATOM_VEC_ELLIPSOID_H +#define LMP_ATOM_VEC_ELLIPSOID_H #include "atom_vec.h" @@ -62,3 +68,4 @@ class AtomVecEllipsoid : public AtomVec { } #endif +#endif diff --git a/src/ASPHERE/compute_erotate_asphere.h b/src/ASPHERE/compute_erotate_asphere.h index f058822fb8..fa0da01f6e 100644 --- a/src/ASPHERE/compute_erotate_asphere.h +++ b/src/ASPHERE/compute_erotate_asphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_EROTATE_ASPHERE_H -#define COMPUTE_EROTATE_ASPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(erotate/asphere,ComputeERotateAsphere) + +#else + +#ifndef LMP_COMPUTE_EROTATE_ASPHERE_H +#define LMP_COMPUTE_EROTATE_ASPHERE_H #include "compute.h" @@ -35,3 +41,4 @@ class ComputeERotateAsphere : public Compute { } #endif +#endif diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h index dc1c52107c..17ffbd57ad 100755 --- a/src/ASPHERE/compute_temp_asphere.h +++ b/src/ASPHERE/compute_temp_asphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_ASPHERE_H -#define COMPUTE_TEMP_ASPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/asphere,ComputeTempAsphere) + +#else + +#ifndef LMP_COMPUTE_TEMP_ASPHERE_H +#define LMP_COMPUTE_TEMP_ASPHERE_H #include "compute.h" @@ -43,3 +49,4 @@ class ComputeTempAsphere : public Compute { } #endif +#endif diff --git a/src/ASPHERE/fix_npt_asphere.h b/src/ASPHERE/fix_npt_asphere.h index 1be255cad0..110977e8ff 100755 --- a/src/ASPHERE/fix_npt_asphere.h +++ b/src/ASPHERE/fix_npt_asphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPT_ASPHERE_H -#define FIX_NPT_ASPHERE_H +#ifdef FIX_CLASS + +FixStyle(npt/asphere,FixNPTAsphere) + +#else + +#ifndef LMP_FIX_NPT_ASPHERE_H +#define LMP_FIX_NPT_ASPHERE_H #include "fix_npt.h" @@ -39,3 +45,4 @@ class FixNPTAsphere : public FixNPT { } #endif +#endif diff --git a/src/ASPHERE/fix_nve_asphere.h b/src/ASPHERE/fix_nve_asphere.h index 995a29cd14..0fc29bbe75 100755 --- a/src/ASPHERE/fix_nve_asphere.h +++ b/src/ASPHERE/fix_nve_asphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_ASPHERE_H -#define FIX_NVE_ASPHERE_H +#ifdef FIX_CLASS + +FixStyle(nve/asphere,FixNVEAsphere) + +#else + +#ifndef LMP_FIX_NVE_ASPHERE_H +#define LMP_FIX_NVE_ASPHERE_H #include "fix_nve.h" @@ -37,3 +43,4 @@ class FixNVEAsphere : public FixNVE { } #endif +#endif diff --git a/src/ASPHERE/fix_nvt_asphere.h b/src/ASPHERE/fix_nvt_asphere.h index 8c43bed3d0..5ebe635714 100755 --- a/src/ASPHERE/fix_nvt_asphere.h +++ b/src/ASPHERE/fix_nvt_asphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_ASPHERE_H -#define FIX_NVT_ASPHERE_H +#ifdef FIX_CLASS + +FixStyle(nvt/asphere,FixNVTAsphere) + +#else + +#ifndef LMP_FIX_NVT_ASPHERE_H +#define LMP_FIX_NVT_ASPHERE_H #include "fix_nvt.h" @@ -38,3 +44,4 @@ class FixNVTAsphere : public FixNVT { } #endif +#endif diff --git a/src/ASPHERE/pair_gayberne.h b/src/ASPHERE/pair_gayberne.h index 45e0ece91e..03cc0d7e01 100755 --- a/src/ASPHERE/pair_gayberne.h +++ b/src/ASPHERE/pair_gayberne.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_GAYBERNE_H -#define PAIR_GAYBERNE_H +#ifdef PAIR_CLASS + +PairStyle(gayberne,PairGayBerne) + +#else + +#ifndef LMP_PAIR_GAYBERNE_H +#define LMP_PAIR_GAYBERNE_H #include "pair.h" @@ -62,3 +68,4 @@ class PairGayBerne : public Pair { } #endif +#endif diff --git a/src/ASPHERE/pair_resquared.h b/src/ASPHERE/pair_resquared.h index a6d33977ee..dae2dd13e2 100755 --- a/src/ASPHERE/pair_resquared.h +++ b/src/ASPHERE/pair_resquared.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_RESQUARED_H -#define PAIR_RESQUARED_H +#ifdef PAIR_CLASS + +PairStyle(resquared,PairRESquared) + +#else + +#ifndef LMP_PAIR_RESQUARED_H +#define LMP_PAIR_RESQUARED_H #include "pair.h" @@ -84,3 +90,4 @@ class PairRESquared : public Pair { } #endif +#endif diff --git a/src/ASPHERE/style_asphere.h b/src/ASPHERE/style_asphere.h deleted file mode 100644 index 70dba98aa4..0000000000 --- a/src/ASPHERE/style_asphere.h +++ /dev/null @@ -1,52 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_ellipsoid.h" -#endif - -#ifdef AtomClass -AtomStyle(ellipsoid,AtomVecEllipsoid) -# endif - -#ifdef ComputeInclude -#include "compute_erotate_asphere.h" -#include "compute_temp_asphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(erotate/asphere,ComputeERotateAsphere) -ComputeStyle(temp/asphere,ComputeTempAsphere) -#endif - -#ifdef FixInclude -#include "fix_nve_asphere.h" -#include "fix_nvt_asphere.h" -#include "fix_npt_asphere.h" -#endif - -#ifdef FixClass -FixStyle(nve/asphere,FixNVEAsphere) -FixStyle(nvt/asphere,FixNVTAsphere) -FixStyle(npt/asphere,FixNPTAsphere) -#endif - -#ifdef PairInclude -#include "pair_gayberne.h" -#include "pair_resquared.h" -#endif - -#ifdef PairClass -PairStyle(gayberne,PairGayBerne) -PairStyle(resquared,PairRESquared) -#endif diff --git a/src/CLASS2/Install.csh b/src/CLASS2/Install.csh index a6559638d6..1704852090 100644 --- a/src/CLASS2/Install.csh +++ b/src/CLASS2/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_class2.h .. - cp bond_class2.cpp .. cp angle_class2.cpp .. cp dihedral_class2.cpp .. @@ -24,9 +22,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_class2.h - touch ../style_class2.h - rm ../bond_class2.cpp rm ../angle_class2.cpp rm ../dihedral_class2.cpp diff --git a/src/CLASS2/angle_class2.h b/src/CLASS2/angle_class2.h index f0510166f1..a2c6e99711 100644 --- a/src/CLASS2/angle_class2.h +++ b/src/CLASS2/angle_class2.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_CLASS2_H -#define ANGLE_CLASS2_H +#ifdef ANGLE_CLASS + +AngleStyle(class2,AngleClass2) + +#else + +#ifndef LMP_ANGLE_CLASS2_H +#define LMP_ANGLE_CLASS2_H #include "stdio.h" #include "angle.h" @@ -42,3 +48,4 @@ class AngleClass2 : public Angle { } #endif +#endif diff --git a/src/CLASS2/bond_class2.h b/src/CLASS2/bond_class2.h index e98f58650f..2a5a42c648 100644 --- a/src/CLASS2/bond_class2.h +++ b/src/CLASS2/bond_class2.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_CLASS2_H -#define BOND_CLASS2_H +#ifdef BOND_CLASS + +BondStyle(class2,BondClass2) + +#else + +#ifndef LMP_BOND_CLASS2_H +#define LMP_BOND_CLASS2_H #include "stdio.h" #include "bond.h" @@ -39,3 +45,4 @@ class BondClass2 : public Bond { } #endif +#endif diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h index c5cb4aea64..b679851c87 100644 --- a/src/CLASS2/dihedral_class2.h +++ b/src/CLASS2/dihedral_class2.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_CLASS2_H -#define DIHEDRAL_CLASS2_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(class2,DihedralClass2) + +#else + +#ifndef LMP_DIHEDRAL_CLASS2_H +#define LMP_DIHEDRAL_CLASS2_H #include "stdio.h" #include "dihedral.h" @@ -48,3 +54,4 @@ class DihedralClass2 : public Dihedral { } #endif +#endif diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h index bc95318786..93cbdc8416 100644 --- a/src/CLASS2/improper_class2.h +++ b/src/CLASS2/improper_class2.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_CLASS2_H -#define IMPROPER_CLASS2_H +#ifdef IMPROPER_CLASS + +ImproperStyle(class2,ImproperClass2) + +#else + +#ifndef LMP_IMPROPER_CLASS2_H +#define LMP_IMPROPER_CLASS2_H #include "stdio.h" #include "improper.h" @@ -43,3 +49,4 @@ class ImproperClass2 : public Improper { } #endif +#endif diff --git a/src/CLASS2/pair_lj_class2.h b/src/CLASS2/pair_lj_class2.h index 33b05a9d92..f2c5a22841 100644 --- a/src/CLASS2/pair_lj_class2.h +++ b/src/CLASS2/pair_lj_class2.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CLASS2_H -#define PAIR_LJ_CLASS2_H +#ifdef PAIR_CLASS + +PairStyle(lj/class2,PairLJClass2) + +#else + +#ifndef LMP_PAIR_LJ_CLASS2_H +#define LMP_PAIR_LJ_CLASS2_H #include "pair.h" @@ -44,3 +50,4 @@ class PairLJClass2 : public Pair { } #endif +#endif diff --git a/src/CLASS2/pair_lj_class2_coul_cut.h b/src/CLASS2/pair_lj_class2_coul_cut.h index cac77257bc..0fd36104dc 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.h +++ b/src/CLASS2/pair_lj_class2_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CLASS2_COUL_CUT_H -#define PAIR_LJ_CLASS2_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut) + +#else + +#ifndef LMP_PAIR_LJ_CLASS2_COUL_CUT_H +#define LMP_PAIR_LJ_CLASS2_COUL_CUT_H #include "pair.h" @@ -46,3 +52,4 @@ class PairLJClass2CoulCut : public Pair { } #endif +#endif diff --git a/src/CLASS2/pair_lj_class2_coul_long.h b/src/CLASS2/pair_lj_class2_coul_long.h index 73742ef337..3ac90c5ad6 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.h +++ b/src/CLASS2/pair_lj_class2_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CLASS2_COUL_LONG_H -#define PAIR_LJ_CLASS2_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(lj/class2/coul/long,PairLJClass2CoulLong) + +#else + +#ifndef LMP_PAIR_LJ_CLASS2_COUL_LONG_H +#define LMP_PAIR_LJ_CLASS2_COUL_LONG_H #include "pair.h" @@ -48,3 +54,4 @@ class PairLJClass2CoulLong : public Pair { } #endif +#endif diff --git a/src/CLASS2/style_class2.h b/src/CLASS2/style_class2.h deleted file mode 100644 index 3ba9b32df4..0000000000 --- a/src/CLASS2/style_class2.h +++ /dev/null @@ -1,56 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_class2.h" -#endif - -#ifdef AngleClass -AngleStyle(class2,AngleClass2) -#endif - -#ifdef BondInclude -#include "bond_class2.h" -#endif - -#ifdef BondClass -BondStyle(class2,BondClass2) -#endif - -#ifdef DihedralInclude -#include "dihedral_class2.h" -#endif - -#ifdef DihedralClass -DihedralStyle(class2,DihedralClass2) -#endif - -#ifdef ImproperInclude -#include "improper_class2.h" -#endif - -#ifdef ImproperClass -ImproperStyle(class2,ImproperClass2) -#endif - -#ifdef PairInclude -#include "pair_lj_class2.h" -#include "pair_lj_class2_coul_cut.h" -#include "pair_lj_class2_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(lj/class2,PairLJClass2) -PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut) -PairStyle(lj/class2/coul/long,PairLJClass2CoulLong) -#endif diff --git a/src/COLLOID/Install.csh b/src/COLLOID/Install.csh index 504510afbe..1e6e5a91f4 100644 --- a/src/COLLOID/Install.csh +++ b/src/COLLOID/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_colloid.h .. - cp atom_vec_colloid.cpp .. cp fix_wall_colloid.cpp .. cp pair_colloid.cpp .. @@ -18,9 +16,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_colloid.h - touch ../style_colloid.h - rm ../atom_vec_colloid.cpp rm ../fix_wall_colloid.cpp rm ../pair_colloid.cpp diff --git a/src/COLLOID/atom_vec_colloid.h b/src/COLLOID/atom_vec_colloid.h index dc7b43c32c..fa37121ab3 100644 --- a/src/COLLOID/atom_vec_colloid.h +++ b/src/COLLOID/atom_vec_colloid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_COLLOID_H -#define ATOM_VEC_COLLOID_H +#ifdef ATOM_CLASS + +AtomStyle(colloid,AtomVecColloid) + +#else + +#ifndef LMP_ATOM_VEC_COLLOID_H +#define LMP_ATOM_VEC_COLLOID_H #include "atom_vec.h" @@ -57,3 +63,4 @@ class AtomVecColloid : public AtomVec { } #endif +#endif diff --git a/src/COLLOID/fix_wall_colloid.h b/src/COLLOID/fix_wall_colloid.h index 215970aa29..1d09975e18 100644 --- a/src/COLLOID/fix_wall_colloid.h +++ b/src/COLLOID/fix_wall_colloid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_COLLOID_H -#define FIX_WALL_COLLOID_H +#ifdef FIX_CLASS + +FixStyle(wall/colloid,FixWallColloid) + +#else + +#ifndef LMP_FIX_WALL_COLLOID_H +#define LMP_FIX_WALL_COLLOID_H #include "fix_wall.h" @@ -32,3 +38,4 @@ class FixWallColloid : public FixWall { } #endif +#endif diff --git a/src/COLLOID/pair_colloid.h b/src/COLLOID/pair_colloid.h index 976f1e6f92..b6de5406db 100644 --- a/src/COLLOID/pair_colloid.h +++ b/src/COLLOID/pair_colloid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COLLOID_H -#define PAIR_COLLOID_H +#ifdef PAIR_CLASS + +PairStyle(colloid,PairColloid) + +#else + +#ifndef LMP_PAIR_COLLOID_H +#define LMP_PAIR_COLLOID_H #include "pair.h" @@ -46,3 +52,4 @@ class PairColloid : public Pair { } #endif +#endif diff --git a/src/COLLOID/pair_lubricate.h b/src/COLLOID/pair_lubricate.h index dca8f7f1d2..b4e76c2b6a 100644 --- a/src/COLLOID/pair_lubricate.h +++ b/src/COLLOID/pair_lubricate.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LUBRICATE_H -#define PAIR_LUBRICATE_H +#ifdef PAIR_CLASS + +PairStyle(lubricate,PairLubricate) + +#else + +#ifndef LMP_PAIR_LUBRICATE_H +#define LMP_PAIR_LUBRICATE_H #include "pair.h" @@ -47,3 +53,4 @@ class PairLubricate : public Pair { } #endif +#endif diff --git a/src/COLLOID/pair_yukawa_colloid.h b/src/COLLOID/pair_yukawa_colloid.h index eacae35a99..4e70c5233e 100644 --- a/src/COLLOID/pair_yukawa_colloid.h +++ b/src/COLLOID/pair_yukawa_colloid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_YUKAWA_COLLOID_H -#define PAIR_YUKAWA_COLLOID_H +#ifdef PAIR_CLASS + +PairStyle(yukawa/colloid,PairYukawaColloid) + +#else + +#ifndef LMP_PAIR_YUKAWA_COLLOID_H +#define LMP_PAIR_YUKAWA_COLLOID_H #include "pair_yukawa.h" @@ -31,3 +37,4 @@ class PairYukawaColloid : public PairYukawa { } #endif +#endif diff --git a/src/COLLOID/style_colloid.h b/src/COLLOID/style_colloid.h deleted file mode 100644 index d5864a0c5f..0000000000 --- a/src/COLLOID/style_colloid.h +++ /dev/null @@ -1,40 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_colloid.h" -#endif - -#ifdef AtomClass -AtomStyle(colloid,AtomVecColloid) -#endif - -#ifdef FixInclude -#include "fix_wall_colloid.h" -#endif - -#ifdef FixClass -FixStyle(wall/colloid,FixWallColloid) -#endif - -#ifdef PairInclude -#include "pair_colloid.h" -#include "pair_lubricate.h" -#include "pair_yukawa_colloid.h" -#endif - -#ifdef PairClass -PairStyle(colloid,PairColloid) -PairStyle(lubricate,PairLubricate) -PairStyle(yukawa/colloid,PairYukawaColloid) -#endif diff --git a/src/DIPOLE/Install.csh b/src/DIPOLE/Install.csh index 0055c343d4..67a35f59b6 100644 --- a/src/DIPOLE/Install.csh +++ b/src/DIPOLE/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_dipole.h .. - cp atom_vec_dipole.cpp .. cp pair_dipole_cut.cpp .. @@ -12,9 +10,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_dipole.h - touch ../style_dipole.h - rm ../atom_vec_dipole.cpp rm ../pair_dipole_cut.cpp diff --git a/src/DIPOLE/atom_vec_dipole.h b/src/DIPOLE/atom_vec_dipole.h index 670619f006..c63e94a53f 100644 --- a/src/DIPOLE/atom_vec_dipole.h +++ b/src/DIPOLE/atom_vec_dipole.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_DIPOLE_H -#define ATOM_VEC_DIPOLE_H +#ifdef ATOM_CLASS + +AtomStyle(dipole,AtomVecDipole) + +#else + +#ifndef LMP_ATOM_VEC_DIPOLE_H +#define LMP_ATOM_VEC_DIPOLE_H #include "atom_vec.h" @@ -61,3 +67,4 @@ class AtomVecDipole : public AtomVec { } #endif +#endif diff --git a/src/DIPOLE/pair_dipole_cut.h b/src/DIPOLE/pair_dipole_cut.h index 8b6619735f..4ac02be108 100644 --- a/src/DIPOLE/pair_dipole_cut.h +++ b/src/DIPOLE/pair_dipole_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_DIPOLE_CUT_H -#define PAIR_DIPOLE_CUT_H +#ifdef PAIR_CLASS + +PairStyle(dipole/cut,PairDipoleCut) + +#else + +#ifndef LMP_PAIR_DIPOLE_CUT_H +#define LMP_PAIR_DIPOLE_CUT_H #include "pair.h" @@ -45,3 +51,4 @@ class PairDipoleCut : public Pair { } #endif +#endif diff --git a/src/DIPOLE/style_dipole.h b/src/DIPOLE/style_dipole.h deleted file mode 100644 index 4708beb13c..0000000000 --- a/src/DIPOLE/style_dipole.h +++ /dev/null @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_dipole.h" -#endif - -#ifdef AtomClass -AtomStyle(dipole,AtomVecDipole) -#endif - -#ifdef PairInclude -#include "pair_dipole_cut.h" -#endif - -#ifdef PairClass -PairStyle(dipole/cut,PairDipoleCut) -#endif diff --git a/src/DSMC/Install.csh b/src/DSMC/Install.csh index 2b0f0fdc38..2ce2f53f3f 100644 --- a/src/DSMC/Install.csh +++ b/src/DSMC/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp style_dsmc.h .. - cp pair_dsmc.cpp .. cp pair_dsmc.h .. else if ($1 == 0) then - rm ../style_dsmc.h - touch ../style_dsmc.h - rm ../pair_dsmc.cpp rm ../pair_dsmc.h diff --git a/src/DSMC/pair_dsmc.h b/src/DSMC/pair_dsmc.h index eb3367d4ae..7e2b784f73 100644 --- a/src/DSMC/pair_dsmc.h +++ b/src/DSMC/pair_dsmc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_DSMC_H -#define PAIR_DSMC_H +#ifdef PAIR_CLASS + +PairStyle(dsmc,PairDSMC) + +#else + +#ifndef LMP_PAIR_DSMC_H +#define LMP_PAIR_DSMC_H #include "pair.h" @@ -100,3 +106,4 @@ class PairDSMC : public Pair { } #endif +#endif diff --git a/src/DSMC/style_dsmc.h b/src/DSMC/style_dsmc.h deleted file mode 100644 index 4af022dacd..0000000000 --- a/src/DSMC/style_dsmc.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_dsmc.h" -#endif - -#ifdef PairClass -PairStyle(dsmc,PairDSMC) -#endif diff --git a/src/GPU/Install.csh b/src/GPU/Install.csh index a8f389413f..e8349a8fcd 100644 --- a/src/GPU/Install.csh +++ b/src/GPU/Install.csh @@ -11,13 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(gpu_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(gpu_SYSLIB) |' ../Makefile.package - cp style_gpu.h tmp.h - if (! -e ../pair_gayberne.cpp) then - grep -v gayberne tmp.h > tmp1.h - mv tmp1.h tmp.h - endif - mv tmp.h ../style_gpu.h - if (-e ../pair_gayberne.cpp) then cp pair_gayberne_gpu.cpp .. cp pair_gayberne_gpu.h .. @@ -31,9 +24,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*gpu //' ../Makefile.package sed -i -e 's/[^ \t]*gpu_[^ \t]*) //' ../Makefile.package - rm ../style_gpu.h - touch ../style_gpu.h - rm ../pair_gayberne_gpu.cpp rm ../pair_lj_cut_gpu.cpp diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h index 558e1afacf..4ab7932d29 100644 --- a/src/GPU/pair_gayberne_gpu.h +++ b/src/GPU/pair_gayberne_gpu.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_GPU_H -#define PAIR_GPU_H +#ifdef PAIR_CLASS + +PairStyle(gayberne/gpu,PairGayBerneGPU) + +#else + +#ifndef LMP_PAIR_GPU_H +#define LMP_PAIR_GPU_H #include "pair_gayberne.h" #define MAX_GPU_THREADS 4 @@ -41,3 +47,4 @@ class PairGayBerneGPU : public PairGayBerne { } #endif +#endif diff --git a/src/GPU/pair_lj_cut_gpu.h b/src/GPU/pair_lj_cut_gpu.h index cd38140f56..53a5a67027 100644 --- a/src/GPU/pair_lj_cut_gpu.h +++ b/src/GPU/pair_lj_cut_gpu.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_GPU_H -#define PAIR_LJ_CUT_GPU_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/gpu,PairLJCutGPU) + +#else + +#ifndef LMP_PAIR_LJ_CUT_GPU_H +#define LMP_PAIR_LJ_CUT_GPU_H #include "pair_lj_cut.h" @@ -38,3 +44,4 @@ class PairLJCutGPU : public PairLJCut { } #endif +#endif diff --git a/src/GPU/style_gpu.h b/src/GPU/style_gpu.h deleted file mode 100644 index 1be999ccdb..0000000000 --- a/src/GPU/style_gpu.h +++ /dev/null @@ -1,41 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#endif - -#ifdef AtomClass -# endif - -#ifdef ComputeInclude -#endif - -#ifdef ComputeClass -#endif - -#ifdef FixInclude -#endif - -#ifdef FixClass -#endif - -#ifdef PairInclude -#include "pair_lj_cut_gpu.h" -#include "pair_gayberne_gpu.h" -#endif - -#ifdef PairClass -PairStyle(lj/cut/gpu,PairLJCutGPU) -PairStyle(gayberne/gpu,PairGayBerneGPU) -#endif - diff --git a/src/GRANULAR/Install.csh b/src/GRANULAR/Install.csh index 2b9b9383ee..554d07111a 100644 --- a/src/GRANULAR/Install.csh +++ b/src/GRANULAR/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_granular.h .. - cp atom_vec_granular.cpp .. cp fix_freeze.cpp .. cp fix_pour.cpp .. @@ -22,9 +20,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_granular.h - touch ../style_granular.h - rm ../atom_vec_granular.cpp rm ../fix_freeze.cpp rm ../fix_pour.cpp diff --git a/src/GRANULAR/atom_vec_granular.h b/src/GRANULAR/atom_vec_granular.h index e1af89d68d..336e6daef4 100644 --- a/src/GRANULAR/atom_vec_granular.h +++ b/src/GRANULAR/atom_vec_granular.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_GRANULAR_H -#define ATOM_VEC_GRANULAR_H +#ifdef ATOM_CLASS + +AtomStyle(granular,AtomVecGranular) + +#else + +#ifndef LMP_ATOM_VEC_GRANULAR_H +#define LMP_ATOM_VEC_GRANULAR_H #include "atom_vec.h" @@ -62,3 +68,4 @@ class AtomVecGranular : public AtomVec { } #endif +#endif diff --git a/src/GRANULAR/fix_freeze.h b/src/GRANULAR/fix_freeze.h index c90fe93d13..0ed1b72b1b 100644 --- a/src/GRANULAR/fix_freeze.h +++ b/src/GRANULAR/fix_freeze.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_FREEZE_H -#define FIX_FREEZE_H +#ifdef FIX_CLASS + +FixStyle(freeze,FixFreeze) + +#else + +#ifndef LMP_FIX_FREEZE_H +#define LMP_FIX_FREEZE_H #include "fix.h" @@ -36,3 +42,4 @@ class FixFreeze : public Fix { } #endif +#endif diff --git a/src/GRANULAR/fix_pour.h b/src/GRANULAR/fix_pour.h index 3286459d8f..c03620bb01 100644 --- a/src/GRANULAR/fix_pour.h +++ b/src/GRANULAR/fix_pour.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_POUR_H -#define FIX_POUR_H +#ifdef FIX_CLASS + +FixStyle(pour,FixPour) + +#else + +#ifndef LMP_FIX_POUR_H +#define LMP_FIX_POUR_H #include "fix.h" @@ -58,3 +64,4 @@ class FixPour : public Fix { } #endif +#endif diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h index 76a27ad202..0f6bb0145f 100644 --- a/src/GRANULAR/fix_wall_gran.h +++ b/src/GRANULAR/fix_wall_gran.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_GRAN_H -#define FIX_WALL_GRAN_H +#ifdef FIX_CLASS + +FixStyle(wall/gran,FixWallGran) + +#else + +#ifndef LMP_FIX_WALL_GRAN_H +#define LMP_FIX_WALL_GRAN_H #include "fix.h" @@ -65,3 +71,4 @@ class FixWallGran : public Fix { } #endif +#endif diff --git a/src/GRANULAR/pair_gran_hertz_history.h b/src/GRANULAR/pair_gran_hertz_history.h index a5799a82f5..87a63fa57f 100644 --- a/src/GRANULAR/pair_gran_hertz_history.h +++ b/src/GRANULAR/pair_gran_hertz_history.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_GRAN_HERTZ_HISTORY_H -#define PAIR_GRAN_HERTZ_HISTORY_H +#ifdef PAIR_CLASS + +PairStyle(gran/hertz/history,PairGranHertzHistory) + +#else + +#ifndef LMP_PAIR_GRAN_HERTZ_HISTORY_H +#define LMP_PAIR_GRAN_HERTZ_HISTORY_H #include "pair_gran_hooke_history.h" @@ -28,3 +34,4 @@ class PairGranHertzHistory : public PairGranHookeHistory { } #endif +#endif diff --git a/src/GRANULAR/pair_gran_hooke.h b/src/GRANULAR/pair_gran_hooke.h index 6a2c083915..565a766f61 100644 --- a/src/GRANULAR/pair_gran_hooke.h +++ b/src/GRANULAR/pair_gran_hooke.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_GRAN_HOOKE_H -#define PAIR_GRAN_HOOKE_H +#ifdef PAIR_CLASS + +PairStyle(gran/hooke,PairGranHooke) + +#else + +#ifndef LMP_PAIR_GRAN_HOOKE_H +#define LMP_PAIR_GRAN_HOOKE_H #include "pair_gran_hooke_history.h" @@ -27,3 +33,4 @@ class PairGranHooke : public PairGranHookeHistory { } #endif +#endif diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h index e88e168b90..7252721d12 100644 --- a/src/GRANULAR/pair_gran_hooke_history.h +++ b/src/GRANULAR/pair_gran_hooke_history.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_GRAN_HOOKE_HISTORY_H -#define PAIR_GRAN_HOOKE_HISTORY_H +#ifdef PAIR_CLASS + +PairStyle(gran/hooke/history,PairGranHookeHistory) + +#else + +#ifndef LMP_PAIR_GRAN_HOOKE_HISTORY_H +#define LMP_PAIR_GRAN_HOOKE_HISTORY_H #include "pair.h" @@ -48,3 +54,4 @@ class PairGranHookeHistory : public Pair { } #endif +#endif diff --git a/src/GRANULAR/style_granular.h b/src/GRANULAR/style_granular.h deleted file mode 100644 index e219d61ef3..0000000000 --- a/src/GRANULAR/style_granular.h +++ /dev/null @@ -1,46 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_granular.h" -#endif - -#ifdef AtomClass -AtomStyle(granular,AtomVecGranular) -# endif - -#ifdef FixInclude -#include "fix_freeze.h" -#include "fix_pour.h" -#include "fix_shear_history.h" -#include "fix_wall_gran.h" -#endif - -#ifdef FixClass -FixStyle(freeze,FixFreeze) -FixStyle(pour,FixPour) -FixStyle(SHEAR_HISTORY,FixShearHistory) -FixStyle(wall/gran,FixWallGran) -#endif - -#ifdef PairInclude -#include "pair_gran_hertz_history.h" -#include "pair_gran_hooke.h" -#include "pair_gran_hooke_history.h" -#endif - -#ifdef PairClass -PairStyle(gran/hertz/history,PairGranHertzHistory) -PairStyle(gran/hooke,PairGranHooke) -PairStyle(gran/hooke/history,PairGranHookeHistory) -#endif diff --git a/src/KSPACE/Install.csh b/src/KSPACE/Install.csh index 72d9afd96a..cc8aa72682 100644 --- a/src/KSPACE/Install.csh +++ b/src/KSPACE/Install.csh @@ -5,8 +5,6 @@ if ($1 == 1) then - cp style_kspace.h .. - cp ewald.cpp .. cp pppm.cpp .. cp pppm_tip4p.cpp .. @@ -37,9 +35,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_kspace.h - touch ../style_kspace.h - rm ../ewald.cpp rm ../pppm.cpp rm ../pppm_tip4p.cpp @@ -68,7 +63,7 @@ else if ($1 == 0) then rm ../remap.h rm ../remap_wrap.h - if (! -z ../style_opt.h) then + if (-e ../pair_lj_charmm_coul_long_opt.h) then cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1 endif diff --git a/src/KSPACE/ewald.h b/src/KSPACE/ewald.h index 4b8253274e..250b524de0 100644 --- a/src/KSPACE/ewald.h +++ b/src/KSPACE/ewald.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef EWALD_H -#define EWALD_H +#ifdef KSPACE_CLASS + +KSpaceStyle(ewald,Ewald) + +#else + +#ifndef LMP_EWALD_H +#define LMP_EWALD_H #include "kspace.h" @@ -53,5 +59,4 @@ class Ewald : public KSpace { } #endif - - +#endif diff --git a/src/KSPACE/fft3d_wrap.h b/src/KSPACE/fft3d_wrap.h index 0b55fe32f6..510dd44a92 100644 --- a/src/KSPACE/fft3d_wrap.h +++ b/src/KSPACE/fft3d_wrap.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FFT3D_WRAP_H -#define FFT3D_WRAP_H +#ifndef LMP_FFT3D_WRAP_H +#define LMP_FFT3D_WRAP_H #include "pointers.h" #include "fft3d.h" diff --git a/src/KSPACE/pair_born_coul_long.h b/src/KSPACE/pair_born_coul_long.h index ea62b59e9e..cd30baa725 100644 --- a/src/KSPACE/pair_born_coul_long.h +++ b/src/KSPACE/pair_born_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BORN_COUL_LONG_H -#define PAIR_BORN_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(born/coul/long,PairBornCoulLong) + +#else + +#ifndef LMP_PAIR_BORN_COUL_LONG_H +#define LMP_PAIR_BORN_COUL_LONG_H #include "pair.h" @@ -48,3 +54,4 @@ class PairBornCoulLong : public Pair { } #endif +#endif diff --git a/src/KSPACE/pair_buck_coul_long.h b/src/KSPACE/pair_buck_coul_long.h index f177bc20ce..78da790cb4 100644 --- a/src/KSPACE/pair_buck_coul_long.h +++ b/src/KSPACE/pair_buck_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_COUL_LONG_H -#define PAIR_BUCK_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(buck/coul/long,PairBuckCoulLong) + +#else + +#ifndef LMP_PAIR_BUCK_COUL_LONG_H +#define LMP_PAIR_BUCK_COUL_LONG_H #include "pair.h" @@ -48,3 +54,4 @@ class PairBuckCoulLong : public Pair { } #endif +#endif diff --git a/src/KSPACE/pair_coul_long.h b/src/KSPACE/pair_coul_long.h index 66c76fe7c9..a40d477f3a 100644 --- a/src/KSPACE/pair_coul_long.h +++ b/src/KSPACE/pair_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COUL_LONG_H -#define PAIR_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(coul/long,PairCoulLong) + +#else + +#ifndef LMP_PAIR_COUL_LONG_H +#define LMP_PAIR_COUL_LONG_H #include "pair.h" @@ -52,3 +58,4 @@ class PairCoulLong : public Pair { } #endif +#endif diff --git a/src/KSPACE/pair_lj_charmm_coul_long.h b/src/KSPACE/pair_lj_charmm_coul_long.h index 02d7aadc87..d4e73d5dbc 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.h +++ b/src/KSPACE/pair_lj_charmm_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_LONG_H -#define PAIR_LJ_CHARMM_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_H +#define LMP_PAIR_LJ_CHARMM_COUL_LONG_H #include "pair.h" @@ -65,3 +71,4 @@ class PairLJCharmmCoulLong : public Pair { } #endif +#endif diff --git a/src/KSPACE/pair_lj_cut_coul_long.h b/src/KSPACE/pair_lj_cut_coul_long.h index b241d7d895..a98063c3e8 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.h +++ b/src/KSPACE/pair_lj_cut_coul_long.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_LONG_H -#define PAIR_LJ_CUT_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/long,PairLJCutCoulLong) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_H +#define LMP_PAIR_LJ_CUT_COUL_LONG_H #include "pair.h" @@ -61,3 +67,4 @@ class PairLJCutCoulLong : public Pair { } #endif +#endif diff --git a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h index 6f1170f865..d67e0f8a8a 100644 --- a/src/KSPACE/pair_lj_cut_coul_long_tip4p.h +++ b/src/KSPACE/pair_lj_cut_coul_long_tip4p.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_LONG_TIP4P_H -#define PAIR_LJ_CUT_COUL_LONG_TIP4P_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H +#define LMP_PAIR_LJ_CUT_COUL_LONG_TIP4P_H #include "pair_lj_cut_coul_long.h" @@ -40,3 +46,4 @@ class PairLJCutCoulLongTIP4P : public PairLJCutCoulLong { } #endif +#endif diff --git a/src/KSPACE/pppm.h b/src/KSPACE/pppm.h index 8ede1b2683..5778bda703 100644 --- a/src/KSPACE/pppm.h +++ b/src/KSPACE/pppm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PPPM_H -#define PPPM_H +#ifdef KSPACE_CLASS + +KSpaceStyle(pppm,PPPM) + +#else + +#ifndef LMP_PPPM_H +#define LMP_PPPM_H #include "kspace.h" @@ -96,3 +102,4 @@ class PPPM : public KSpace { } #endif +#endif diff --git a/src/KSPACE/pppm_tip4p.h b/src/KSPACE/pppm_tip4p.h index bda20d437a..4a56a0270b 100644 --- a/src/KSPACE/pppm_tip4p.h +++ b/src/KSPACE/pppm_tip4p.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PPPM_TIP4P_H -#define PPPM_TIP4P_H +#ifdef KSPACE_CLASS + +KSpaceStyle(pppm/tip4p,PPPMTIP4P) + +#else + +#ifndef LMP_PPPM_TIP4P_H +#define LMP_PPPM_TIP4P_H #include "pppm.h" @@ -33,3 +39,4 @@ class PPPMTIP4P : public PPPM { } #endif +#endif diff --git a/src/KSPACE/remap_wrap.h b/src/KSPACE/remap_wrap.h index 6b4b9a192a..7145769d4c 100644 --- a/src/KSPACE/remap_wrap.h +++ b/src/KSPACE/remap_wrap.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REMAP_WRAP_H -#define REMAP_WRAP_H +#ifndef LMP_REMAP_WRAP_H +#define LMP_REMAP_WRAP_H #include "pointers.h" #include "remap.h" diff --git a/src/KSPACE/style_kspace.h b/src/KSPACE/style_kspace.h deleted file mode 100644 index 1c75a94e75..0000000000 --- a/src/KSPACE/style_kspace.h +++ /dev/null @@ -1,42 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef KSpaceInclude -#include "ewald.h" -#include "pppm.h" -#include "pppm_tip4p.h" -#endif - -#ifdef KSpaceClass -KSpaceStyle(ewald,Ewald) -KSpaceStyle(pppm,PPPM) -KSpaceStyle(pppm/tip4p,PPPMTIP4P) -#endif - -#ifdef PairInclude -#include "pair_born_coul_long.h" -#include "pair_buck_coul_long.h" -#include "pair_coul_long.h" -#include "pair_lj_cut_coul_long.h" -#include "pair_lj_cut_coul_long_tip4p.h" -#include "pair_lj_charmm_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(born/coul/long,PairBornCoulLong) -PairStyle(buck/coul/long,PairBuckCoulLong) -PairStyle(coul/long,PairCoulLong) -PairStyle(lj/cut/coul/long,PairLJCutCoulLong) -PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P) -PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong) -#endif diff --git a/src/MANYBODY/Install.csh b/src/MANYBODY/Install.csh index 9efda4958f..866d8af79b 100644 --- a/src/MANYBODY/Install.csh +++ b/src/MANYBODY/Install.csh @@ -5,8 +5,6 @@ if ($1 == 1) then - cp style_manybody.h .. - cp pair_airebo.cpp .. cp pair_eam.cpp .. cp pair_eam_alloy.cpp .. @@ -25,9 +23,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_manybody.h - touch ../style_manybody.h - rm ../pair_airebo.cpp rm ../pair_eam.cpp rm ../pair_eam_alloy.cpp @@ -44,7 +39,7 @@ else if ($1 == 0) then rm ../pair_tersoff.h rm ../pair_tersoff_zbl.h - if (! -z ../style_opt.h) then + if (-e ../pair_eam_opt.h) then cd ../OPT; csh -f Install.csh 0; csh -f Install.csh 1 endif diff --git a/src/MANYBODY/pair_airebo.h b/src/MANYBODY/pair_airebo.h index b0b3a2fc33..09c632f6be 100644 --- a/src/MANYBODY/pair_airebo.h +++ b/src/MANYBODY/pair_airebo.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_AIREBO_H -#define PAIR_AIREBO_H +#ifdef PAIR_CLASS + +PairStyle(airebo,PairAIREBO) + +#else + +#ifndef LMP_PAIR_AIREBO_H +#define LMP_PAIR_AIREBO_H #include "pair.h" @@ -111,3 +117,4 @@ class PairAIREBO : public Pair { } #endif +#endif diff --git a/src/MANYBODY/pair_eam.h b/src/MANYBODY/pair_eam.h index 1ec14bef8f..bde319bb68 100644 --- a/src/MANYBODY/pair_eam.h +++ b/src/MANYBODY/pair_eam.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_H -#define PAIR_EAM_H +#ifdef PAIR_CLASS + +PairStyle(eam,PairEAM) + +#else + +#ifndef LMP_PAIR_EAM_H +#define LMP_PAIR_EAM_H #include "pair.h" @@ -100,3 +106,4 @@ class PairEAM : public Pair { } #endif +#endif diff --git a/src/MANYBODY/pair_eam_alloy.h b/src/MANYBODY/pair_eam_alloy.h index a95bf77f99..358aa638c6 100644 --- a/src/MANYBODY/pair_eam_alloy.h +++ b/src/MANYBODY/pair_eam_alloy.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_ALLOY_H -#define PAIR_EAM_ALLOY_H +#ifdef PAIR_CLASS + +PairStyle(eam/alloy,PairEAMAlloy) + +#else + +#ifndef LMP_PAIR_EAM_ALLOY_H +#define LMP_PAIR_EAM_ALLOY_H #include "pair_eam.h" @@ -34,3 +40,4 @@ class PairEAMAlloy : virtual public PairEAM { } #endif +#endif diff --git a/src/MANYBODY/pair_eam_fs.h b/src/MANYBODY/pair_eam_fs.h index 8a7808d7f0..1daee0efe1 100644 --- a/src/MANYBODY/pair_eam_fs.h +++ b/src/MANYBODY/pair_eam_fs.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_FS_H -#define PAIR_EAM_FS_H +#ifdef PAIR_CLASS + +PairStyle(eam/fs,PairEAMFS) + +#else + +#ifndef LMP_PAIR_EAM_FS_H +#define LMP_PAIR_EAM_FS_H #include "pair_eam.h" @@ -34,3 +40,4 @@ class PairEAMFS : virtual public PairEAM { } #endif +#endif diff --git a/src/MANYBODY/pair_sw.h b/src/MANYBODY/pair_sw.h index e84768ba41..45053afc45 100755 --- a/src/MANYBODY/pair_sw.h +++ b/src/MANYBODY/pair_sw.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_SW_H -#define PAIR_SW_H +#ifdef PAIR_CLASS + +PairStyle(sw,PairSW) + +#else + +#ifndef LMP_PAIR_SW_H +#define LMP_PAIR_SW_H #include "pair.h" @@ -61,3 +67,4 @@ class PairSW : public Pair { } #endif +#endif diff --git a/src/MANYBODY/pair_tersoff.h b/src/MANYBODY/pair_tersoff.h index 7769ddcecc..49d3079286 100755 --- a/src/MANYBODY/pair_tersoff.h +++ b/src/MANYBODY/pair_tersoff.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_TERSOFF_H -#define PAIR_TERSOFF_H +#ifdef PAIR_CLASS + +PairStyle(tersoff,PairTersoff) + +#else + +#ifndef LMP_PAIR_TERSOFF_H +#define LMP_PAIR_TERSOFF_H #include "pair.h" @@ -94,3 +100,4 @@ class PairTersoff : public Pair { } #endif +#endif diff --git a/src/MANYBODY/pair_tersoff_zbl.h b/src/MANYBODY/pair_tersoff_zbl.h index dd3f110886..6006de1c60 100755 --- a/src/MANYBODY/pair_tersoff_zbl.h +++ b/src/MANYBODY/pair_tersoff_zbl.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_TERSOFF_ZBL_H -#define PAIR_TERSOFF_ZBL_H +#ifdef PAIR_CLASS + +PairStyle(tersoff/zbl,PairTersoffZBL) + +#else + +#ifndef LMP_PAIR_TERSOFF_ZBL_H +#define LMP_PAIR_TERSOFF_ZBL_H #include "pair_tersoff.h" @@ -41,3 +47,4 @@ class PairTersoffZBL : public PairTersoff { } #endif +#endif diff --git a/src/MANYBODY/style_manybody.h b/src/MANYBODY/style_manybody.h deleted file mode 100644 index 18cd907008..0000000000 --- a/src/MANYBODY/style_manybody.h +++ /dev/null @@ -1,32 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_airebo.h" -#include "pair_eam.h" -#include "pair_eam_alloy.h" -#include "pair_eam_fs.h" -#include "pair_sw.h" -#include "pair_tersoff.h" -#include "pair_tersoff_zbl.h" -#endif - -#ifdef PairClass -PairStyle(airebo,PairAIREBO) -PairStyle(eam,PairEAM) -PairStyle(eam/alloy,PairEAMAlloy) -PairStyle(eam/fs,PairEAMFS) -PairStyle(sw,PairSW) -PairStyle(tersoff,PairTersoff) -PairStyle(tersoff/zbl,PairTersoffZBL) -#endif diff --git a/src/MEAM/Install.csh b/src/MEAM/Install.csh index 28f4d29f54..a7093dca95 100644 --- a/src/MEAM/Install.csh +++ b/src/MEAM/Install.csh @@ -11,8 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(meam_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(meam_SYSLIB) |' ../Makefile.package - cp style_meam.h .. - cp pair_meam.cpp .. cp pair_meam.h .. @@ -22,9 +20,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*meam //' ../Makefile.package sed -i -e 's/[^ \t]*meam_[^ \t]*) //' ../Makefile.package - rm ../style_meam.h - touch ../style_meam.h - rm ../pair_meam.cpp rm ../pair_meam.h diff --git a/src/MEAM/pair_meam.h b/src/MEAM/pair_meam.h index c8a5f43648..7c993b24c1 100644 --- a/src/MEAM/pair_meam.h +++ b/src/MEAM/pair_meam.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_MEAM_H -#define PAIR_MEAM_H +#ifdef PAIR_CLASS + +PairStyle(meam,PairMEAM) + +#else + +#ifndef LMP_PAIR_MEAM_H +#define LMP_PAIR_MEAM_H extern "C" { void meam_setup_global_(int *, int *, double *, int *, double *, double *, @@ -95,3 +101,4 @@ class PairMEAM : public Pair { } #endif +#endif diff --git a/src/MEAM/style_meam.h b/src/MEAM/style_meam.h deleted file mode 100644 index 221a363f11..0000000000 --- a/src/MEAM/style_meam.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_meam.h" -#endif - -#ifdef PairClass -PairStyle(meam,PairMEAM) -#endif diff --git a/src/MOLECULE/Install.csh b/src/MOLECULE/Install.csh index 9d8e77f87a..21cd3c5918 100644 --- a/src/MOLECULE/Install.csh +++ b/src/MOLECULE/Install.csh @@ -5,8 +5,6 @@ if ($1 == 1) then - cp style_molecule.h .. - cp angle.cpp .. cp angle_charmm.cpp .. cp angle_cosine.cpp .. @@ -85,9 +83,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_molecule.h - touch ../style_molecule.h - rm ../angle.cpp rm ../angle_charmm.cpp rm ../angle_cosine.cpp diff --git a/src/MOLECULE/angle_charmm.h b/src/MOLECULE/angle_charmm.h index a6c8975ad7..feb0881861 100644 --- a/src/MOLECULE/angle_charmm.h +++ b/src/MOLECULE/angle_charmm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_CHARMM_H -#define ANGLE_CHARMM_H +#ifdef ANGLE_CLASS + +AngleStyle(charmm,AngleCharmm) + +#else + +#ifndef LMP_ANGLE_CHARMM_H +#define LMP_ANGLE_CHARMM_H #include "stdio.h" #include "angle.h" @@ -39,3 +45,4 @@ class AngleCharmm : public Angle { } #endif +#endif diff --git a/src/MOLECULE/angle_cosine.h b/src/MOLECULE/angle_cosine.h index b0aa922158..cb6b72bc9f 100644 --- a/src/MOLECULE/angle_cosine.h +++ b/src/MOLECULE/angle_cosine.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_COSINE_H -#define ANGLE_COSINE_H +#ifdef ANGLE_CLASS + +AngleStyle(cosine,AngleCosine) + +#else + +#ifndef LMP_ANGLE_COSINE_H +#define LMP_ANGLE_COSINE_H #include "stdio.h" #include "angle.h" @@ -39,3 +45,4 @@ class AngleCosine : public Angle { } #endif +#endif diff --git a/src/MOLECULE/angle_cosine_delta.h b/src/MOLECULE/angle_cosine_delta.h index 7d34fe3c05..4bce025e9e 100644 --- a/src/MOLECULE/angle_cosine_delta.h +++ b/src/MOLECULE/angle_cosine_delta.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_COSINE_DELTA_H -#define ANGLE_COSINE_DELTA_H +#ifdef ANGLE_CLASS + +AngleStyle(cosine/delta,AngleCosineDelta) + +#else + +#ifndef LMP_ANGLE_COSINE_DELTA_H +#define LMP_ANGLE_COSINE_DELTA_H #include "stdio.h" #include "angle_cosine_squared.h" @@ -26,3 +32,4 @@ class AngleCosineDelta : public AngleCosineSquared { } #endif +#endif diff --git a/src/MOLECULE/angle_cosine_squared.h b/src/MOLECULE/angle_cosine_squared.h index 79a946ceb2..ca138d791e 100644 --- a/src/MOLECULE/angle_cosine_squared.h +++ b/src/MOLECULE/angle_cosine_squared.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_COSINE_SQUARED_H -#define ANGLE_COSINE_SQUARED_H +#ifdef ANGLE_CLASS + +AngleStyle(cosine/squared,AngleCosineSquared) + +#else + +#ifndef LMP_ANGLE_COSINE_SQUARED_H +#define LMP_ANGLE_COSINE_SQUARED_H #include "stdio.h" #include "angle.h" @@ -39,3 +45,4 @@ class AngleCosineSquared : public Angle { } #endif +#endif diff --git a/src/MOLECULE/angle_harmonic.h b/src/MOLECULE/angle_harmonic.h index 4ec024e042..7df64a9313 100644 --- a/src/MOLECULE/angle_harmonic.h +++ b/src/MOLECULE/angle_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_HARMONIC_H -#define ANGLE_HARMONIC_H +#ifdef ANGLE_CLASS + +AngleStyle(harmonic,AngleHarmonic) + +#else + +#ifndef LMP_ANGLE_HARMONIC_H +#define LMP_ANGLE_HARMONIC_H #include "stdio.h" #include "angle.h" @@ -39,3 +45,4 @@ class AngleHarmonic : public Angle { } #endif +#endif diff --git a/src/MOLECULE/angle_hybrid.h b/src/MOLECULE/angle_hybrid.h index 6ff0adada1..4884ef754f 100644 --- a/src/MOLECULE/angle_hybrid.h +++ b/src/MOLECULE/angle_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_HYBRID_H -#define ANGLE_HYBRID_H +#ifdef ANGLE_CLASS + +AngleStyle(hybrid,AngleHybrid) + +#else + +#ifndef LMP_ANGLE_HYBRID_H +#define LMP_ANGLE_HYBRID_H #include "stdio.h" #include "angle.h" @@ -48,3 +54,4 @@ class AngleHybrid : public Angle { } #endif +#endif diff --git a/src/MOLECULE/angle_table.h b/src/MOLECULE/angle_table.h index 2f0490accc..a4895196d8 100644 --- a/src/MOLECULE/angle_table.h +++ b/src/MOLECULE/angle_table.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_TABLE_H -#define ANGLE_TABLE_H +#ifdef ANGLE_CLASS + +AngleStyle(table,AngleTable) + +#else + +#ifndef LMP_ANGLE_TABLE_H +#define LMP_ANGLE_TABLE_H #include "stdio.h" #include "angle.h" @@ -67,3 +73,4 @@ class AngleTable : public Angle { } #endif +#endif diff --git a/src/MOLECULE/atom_vec_angle.h b/src/MOLECULE/atom_vec_angle.h index d0260b2f95..482c54ebc0 100644 --- a/src/MOLECULE/atom_vec_angle.h +++ b/src/MOLECULE/atom_vec_angle.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_ANGLE_H -#define ATOM_VEC_ANGLE_H +#ifdef ATOM_CLASS + +AtomStyle(angle,AtomVecAngle) + +#else + +#ifndef LMP_ATOM_VEC_ANGLE_H +#define LMP_ATOM_VEC_ANGLE_H #include "atom_vec.h" @@ -61,3 +67,4 @@ class AtomVecAngle : public AtomVec { } #endif +#endif diff --git a/src/MOLECULE/atom_vec_bond.h b/src/MOLECULE/atom_vec_bond.h index e79d04abc1..8c5a8cade7 100644 --- a/src/MOLECULE/atom_vec_bond.h +++ b/src/MOLECULE/atom_vec_bond.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_BOND_H -#define ATOM_VEC_BOND_H +#ifdef ATOM_CLASS + +AtomStyle(bond,AtomVecBond) + +#else + +#ifndef LMP_ATOM_VEC_BOND_H +#define LMP_ATOM_VEC_BOND_H #include "atom_vec.h" @@ -58,3 +64,4 @@ class AtomVecBond : public AtomVec { } #endif +#endif diff --git a/src/MOLECULE/atom_vec_full.h b/src/MOLECULE/atom_vec_full.h index c3c2d9e5e3..27c724e4bd 100644 --- a/src/MOLECULE/atom_vec_full.h +++ b/src/MOLECULE/atom_vec_full.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_FULL_H -#define ATOM_VEC_FULL_H +#ifdef ATOM_CLASS + +AtomStyle(full,AtomVecFull) + +#else + +#ifndef LMP_ATOM_VEC_FULL_H +#define LMP_ATOM_VEC_FULL_H #include "atom_vec.h" @@ -68,3 +74,4 @@ class AtomVecFull : public AtomVec { } #endif +#endif diff --git a/src/MOLECULE/atom_vec_molecular.h b/src/MOLECULE/atom_vec_molecular.h index 8659b8a0e6..7b0ab74e2d 100644 --- a/src/MOLECULE/atom_vec_molecular.h +++ b/src/MOLECULE/atom_vec_molecular.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_MOLECULAR_H -#define ATOM_VEC_MOLECULAR_H +#ifdef ATOM_CLASS + +AtomStyle(molecular,AtomVecMolecular) + +#else + +#ifndef LMP_ATOM_VEC_MOLECULAR_H +#define LMP_ATOM_VEC_MOLECULAR_H #include "atom_vec.h" @@ -67,3 +73,4 @@ class AtomVecMolecular : public AtomVec { } #endif +#endif diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h index d198b24057..25ca928e31 100644 --- a/src/MOLECULE/bond_fene.h +++ b/src/MOLECULE/bond_fene.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_FENE_H -#define BOND_FENE_H +#ifdef BOND_CLASS + +BondStyle(fene,BondFENE) + +#else + +#ifndef LMP_BOND_FENE_H +#define LMP_BOND_FENE_H #include "stdio.h" #include "bond.h" @@ -41,3 +47,4 @@ class BondFENE : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h index 6ee9aff619..a86dfdba14 100644 --- a/src/MOLECULE/bond_fene_expand.h +++ b/src/MOLECULE/bond_fene_expand.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_FENE_EXPAND_H -#define BOND_FENE_EXPAND_H +#ifdef BOND_CLASS + +BondStyle(fene/expand,BondFENEExpand) + +#else + +#ifndef LMP_BOND_FENE_EXPAND_H +#define LMP_BOND_FENE_EXPAND_H #include "stdio.h" #include "bond.h" @@ -41,3 +47,4 @@ class BondFENEExpand : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_harmonic.h b/src/MOLECULE/bond_harmonic.h index 14bd8c7794..a4364cc8bb 100644 --- a/src/MOLECULE/bond_harmonic.h +++ b/src/MOLECULE/bond_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_HARMONIC_H -#define BOND_HARMONIC_H +#ifdef BOND_CLASS + +BondStyle(harmonic,BondHarmonic) + +#else + +#ifndef LMP_BOND_HARMONIC_H +#define LMP_BOND_HARMONIC_H #include "stdio.h" #include "bond.h" @@ -39,3 +45,4 @@ class BondHarmonic : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_morse.h b/src/MOLECULE/bond_morse.h index bcccceb146..34fbf265cc 100644 --- a/src/MOLECULE/bond_morse.h +++ b/src/MOLECULE/bond_morse.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_MORSE_H -#define BOND_MORSE_H +#ifdef BOND_CLASS + +BondStyle(morse,BondMorse) + +#else + +#ifndef LMP_BOND_MORSE_H +#define LMP_BOND_MORSE_H #include "stdio.h" #include "bond.h" @@ -39,3 +45,4 @@ class BondMorse : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_nonlinear.h b/src/MOLECULE/bond_nonlinear.h index 24686191b2..1390d25193 100644 --- a/src/MOLECULE/bond_nonlinear.h +++ b/src/MOLECULE/bond_nonlinear.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_NONLINEAR_H -#define BOND_NONLINEAR_H +#ifdef BOND_CLASS + +BondStyle(nonlinear,BondNonlinear) + +#else + +#ifndef LMP_BOND_NONLINEAR_H +#define LMP_BOND_NONLINEAR_H #include "stdio.h" #include "bond.h" @@ -39,3 +45,4 @@ class BondNonlinear : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_quartic.h b/src/MOLECULE/bond_quartic.h index e25ab1eb09..b53d710392 100644 --- a/src/MOLECULE/bond_quartic.h +++ b/src/MOLECULE/bond_quartic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------ */ -#ifndef BOND_QUARTIC_H -#define BOND_QUARTIC_H +#ifdef BOND_CLASS + +BondStyle(quartic,BondQuartic) + +#else + +#ifndef LMP_BOND_QUARTIC_H +#define LMP_BOND_QUARTIC_H #include "stdio.h" #include "bond.h" @@ -41,3 +47,4 @@ class BondQuartic : public Bond { } #endif +#endif diff --git a/src/MOLECULE/bond_table.h b/src/MOLECULE/bond_table.h index 0d8f3b4066..9e5d877ecc 100644 --- a/src/MOLECULE/bond_table.h +++ b/src/MOLECULE/bond_table.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_TABLE_H -#define BOND_TABLE_H +#ifdef BOND_CLASS + +BondStyle(table,BondTable) + +#else + +#ifndef LMP_BOND_TABLE_H +#define LMP_BOND_TABLE_H #include "stdio.h" #include "bond.h" @@ -67,3 +73,4 @@ class BondTable : public Bond { } #endif +#endif diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h index 470981e31d..1833cda6a9 100644 --- a/src/MOLECULE/dihedral_charmm.h +++ b/src/MOLECULE/dihedral_charmm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_CHARMM_H -#define DIHEDRAL_CHARMM_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(charmm,DihedralCharmm) + +#else + +#ifndef LMP_DIHEDRAL_CHARMM_H +#define LMP_DIHEDRAL_CHARMM_H #include "stdio.h" #include "dihedral.h" @@ -41,3 +47,4 @@ class DihedralCharmm : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h index 22ca49de9a..64a1e96e24 100644 --- a/src/MOLECULE/dihedral_harmonic.h +++ b/src/MOLECULE/dihedral_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_HARMONIC_H -#define DIHEDRAL_HARMONIC_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(harmonic,DihedralHarmonic) + +#else + +#ifndef LMP_DIHEDRAL_HARMONIC_H +#define LMP_DIHEDRAL_HARMONIC_H #include "stdio.h" #include "dihedral.h" @@ -38,3 +44,4 @@ class DihedralHarmonic : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h index 9263773b64..df51d2b2dc 100644 --- a/src/MOLECULE/dihedral_helix.h +++ b/src/MOLECULE/dihedral_helix.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_HELIX_H -#define DIHEDRAL_HELIX_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(helix,DihedralHelix) + +#else + +#ifndef LMP_DIHEDRAL_HELIX_H +#define LMP_DIHEDRAL_HELIX_H #include "stdio.h" #include "dihedral.h" @@ -37,3 +43,4 @@ class DihedralHelix : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/dihedral_hybrid.h b/src/MOLECULE/dihedral_hybrid.h index 0ed2a91c8a..129c4dceab 100644 --- a/src/MOLECULE/dihedral_hybrid.h +++ b/src/MOLECULE/dihedral_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_HYBRID_H -#define DIHEDRAL_HYBRID_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(hybrid,DihedralHybrid) + +#else + +#ifndef LMP_DIHEDRAL_HYBRID_H +#define LMP_DIHEDRAL_HYBRID_H #include "stdio.h" #include "dihedral.h" @@ -47,3 +53,4 @@ class DihedralHybrid : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h index 1fce65f4a3..67bd4a33e7 100644 --- a/src/MOLECULE/dihedral_multi_harmonic.h +++ b/src/MOLECULE/dihedral_multi_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_MULTI_HARMONIC_H -#define DIHEDRAL_MULTI_HARMONIC_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(multi/harmonic,DihedralMultiHarmonic) + +#else + +#ifndef LMP_DIHEDRAL_MULTI_HARMONIC_H +#define LMP_DIHEDRAL_MULTI_HARMONIC_H #include "stdio.h" #include "dihedral.h" @@ -37,3 +43,4 @@ class DihedralMultiHarmonic : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h index 2d71c2efc3..d4ec3f8b7d 100644 --- a/src/MOLECULE/dihedral_opls.h +++ b/src/MOLECULE/dihedral_opls.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_OPLS_H -#define DIHEDRAL_OPLS_H +#ifdef DIHEDRAL_CLASS + +DihedralStyle(opls,DihedralOPLS) + +#else + +#ifndef LMP_DIHEDRAL_OPLS_H +#define LMP_DIHEDRAL_OPLS_H #include "stdio.h" #include "dihedral.h" @@ -37,3 +43,4 @@ class DihedralOPLS : public Dihedral { } #endif +#endif diff --git a/src/MOLECULE/fix_bond_break.h b/src/MOLECULE/fix_bond_break.h index b70d694a22..597a7e93f3 100755 --- a/src/MOLECULE/fix_bond_break.h +++ b/src/MOLECULE/fix_bond_break.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_BOND_BREAK_H -#define FIX_BOND_BREAK_H +#ifdef FIX_CLASS + +FixStyle(bond/break,FixBondBreak) + +#else + +#ifndef LMP_FIX_BOND_BREAK_H +#define LMP_FIX_BOND_BREAK_H #include "fix.h" @@ -51,3 +57,4 @@ class FixBondBreak : public Fix { } #endif +#endif diff --git a/src/MOLECULE/fix_bond_create.h b/src/MOLECULE/fix_bond_create.h index d4ae9d8524..a54fd5d82a 100755 --- a/src/MOLECULE/fix_bond_create.h +++ b/src/MOLECULE/fix_bond_create.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_BOND_CREATE_H -#define FIX_BOND_CREATE_H +#ifdef FIX_CLASS + +FixStyle(bond/create,FixBondCreate) + +#else + +#ifndef LMP_FIX_BOND_CREATE_H +#define LMP_FIX_BOND_CREATE_H #include "fix.h" @@ -65,3 +71,4 @@ class FixBondCreate : public Fix { } #endif +#endif diff --git a/src/MOLECULE/fix_bond_swap.h b/src/MOLECULE/fix_bond_swap.h index 1e089aae83..b8f991364a 100644 --- a/src/MOLECULE/fix_bond_swap.h +++ b/src/MOLECULE/fix_bond_swap.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_BONDSWAP_H -#define FIX_BONDSWAP_H +#ifdef FIX_CLASS + +FixStyle(bond/swap,FixBondSwap) + +#else + +#ifndef LMP_FIX_BONDSWAP_H +#define LMP_FIX_BONDSWAP_H #include "fix.h" #include "pair.h" @@ -54,3 +60,4 @@ class FixBondSwap : public Fix { } #endif +#endif diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h index 51fcc4b2e3..b7636edb20 100644 --- a/src/MOLECULE/improper_cvff.h +++ b/src/MOLECULE/improper_cvff.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_CVFF_H -#define IMPROPER_CVFF_H +#ifdef IMPROPER_CLASS + +ImproperStyle(cvff,ImproperCvff) + +#else + +#ifndef LMP_IMPROPER_CVFF_H +#define LMP_IMPROPER_CVFF_H #include "stdio.h" #include "improper.h" @@ -38,3 +44,4 @@ class ImproperCvff : public Improper { } #endif +#endif diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h index fdc0495344..01645cf2a9 100644 --- a/src/MOLECULE/improper_harmonic.h +++ b/src/MOLECULE/improper_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_HARMONIC_H -#define IMPROPER_HARMONIC_H +#ifdef IMPROPER_CLASS + +ImproperStyle(harmonic,ImproperHarmonic) + +#else + +#ifndef LMP_IMPROPER_HARMONIC_H +#define LMP_IMPROPER_HARMONIC_H #include "stdio.h" #include "improper.h" @@ -37,3 +43,4 @@ class ImproperHarmonic : public Improper { } #endif +#endif diff --git a/src/MOLECULE/improper_hybrid.h b/src/MOLECULE/improper_hybrid.h index 70e2c13cb4..3e0639f750 100644 --- a/src/MOLECULE/improper_hybrid.h +++ b/src/MOLECULE/improper_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_HYBRID_H -#define IMPROPER_HYBRID_H +#ifdef IMPROPER_CLASS + +ImproperStyle(hybrid,ImproperHybrid) + +#else + +#ifndef LMP_IMPROPER_HYBRID_H +#define LMP_IMPROPER_HYBRID_H #include "stdio.h" #include "improper.h" @@ -46,3 +52,4 @@ class ImproperHybrid : public Improper { } #endif +#endif diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.h b/src/MOLECULE/pair_lj_charmm_coul_charmm.h index e23766b414..d83694d45c 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_CHARMM_H -#define PAIR_LJ_CHARMM_COUL_CHARMM_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_H +#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_H #include "pair.h" @@ -49,3 +55,4 @@ class PairLJCharmmCoulCharmm : public Pair { } #endif +#endif diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h index 910e0c9a19..2fd9b61099 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm_implicit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H -#define PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H +#define LMP_PAIR_LJ_CHARMM_COUL_CHARMM_IMPLICIT_H #include "pair_lj_charmm_coul_charmm.h" @@ -29,3 +35,4 @@ class PairLJCharmmCoulCharmmImplicit : public PairLJCharmmCoulCharmm { } #endif +#endif diff --git a/src/MOLECULE/style_molecule.h b/src/MOLECULE/style_molecule.h deleted file mode 100644 index cc4e57483b..0000000000 --- a/src/MOLECULE/style_molecule.h +++ /dev/null @@ -1,120 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_charmm.h" -#include "angle_cosine.h" -#include "angle_cosine_delta.h" -#include "angle_cosine_squared.h" -#include "angle_harmonic.h" -#include "angle_hybrid.h" -#include "angle_table.h" -#endif - -#ifdef AngleClass -AngleStyle(charmm,AngleCharmm) -AngleStyle(cosine,AngleCosine) -AngleStyle(cosine/delta,AngleCosineDelta) -AngleStyle(cosine/squared,AngleCosineSquared) -AngleStyle(harmonic,AngleHarmonic) -AngleStyle(hybrid,AngleHybrid) -AngleStyle(table,AngleTable) -#endif - -#ifdef AtomInclude -#include "atom_vec_angle.h" -#include "atom_vec_bond.h" -#include "atom_vec_full.h" -#include "atom_vec_molecular.h" -#endif - -#ifdef AtomClass -AtomStyle(angle,AtomVecAngle) -AtomStyle(bond,AtomVecBond) -AtomStyle(full,AtomVecFull) -AtomStyle(molecular,AtomVecMolecular) -#endif - -#ifdef BondInclude -#include "bond_fene.h" -#include "bond_fene_expand.h" -#include "bond_harmonic.h" -#include "bond_hybrid.h" -#include "bond_morse.h" -#include "bond_nonlinear.h" -#include "bond_quartic.h" -#include "bond_table.h" -#endif - -#ifdef BondClass -BondStyle(fene,BondFENE) -BondStyle(fene/expand,BondFENEExpand) -BondStyle(harmonic,BondHarmonic) -BondStyle(hybrid,BondHybrid) -BondStyle(morse,BondMorse) -BondStyle(nonlinear,BondNonlinear) -BondStyle(quartic,BondQuartic) -BondStyle(table,BondTable) -#endif - -#ifdef DihedralInclude -#include "dihedral_charmm.h" -#include "dihedral_harmonic.h" -#include "dihedral_helix.h" -#include "dihedral_hybrid.h" -#include "dihedral_multi_harmonic.h" -#include "dihedral_opls.h" -#endif - -#ifdef DihedralClass -DihedralStyle(charmm,DihedralCharmm) -DihedralStyle(harmonic,DihedralHarmonic) -DihedralStyle(helix,DihedralHelix) -DihedralStyle(hybrid,DihedralHybrid) -DihedralStyle(multi/harmonic,DihedralMultiHarmonic) -DihedralStyle(opls,DihedralOPLS) -#endif - -#ifdef FixInclude -#include "fix_bond_break.h" -#include "fix_bond_create.h" -#include "fix_bond_swap.h" -#endif - -#ifdef FixClass -FixStyle(bond/break,FixBondBreak) -FixStyle(bond/create,FixBondCreate) -FixStyle(bond/swap,FixBondSwap) -#endif - -#ifdef ImproperInclude -#include "improper_cvff.h" -#include "improper_harmonic.h" -#include "improper_hybrid.h" -#endif - -#ifdef ImproperClass -ImproperStyle(cvff,ImproperCvff) -ImproperStyle(harmonic,ImproperHarmonic) -ImproperStyle(hybrid,ImproperHybrid) -#endif - -#ifdef PairInclude -#include "pair_lj_charmm_coul_charmm.h" -#include "pair_lj_charmm_coul_charmm_implicit.h" -#endif - -#ifdef PairClass -PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) -PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) -#endif diff --git a/src/Make.csh b/src/Make.csh index 59657281e5..9a9806da25 100644 --- a/src/Make.csh +++ b/src/Make.csh @@ -1,4 +1,4 @@ -# Make.csh = update Makefile.lib and Makefile.list +# Make.csh = update Makefile.lib or Makefile.list or style_*.h files # use current list of *.cpp and *.h files in src dir if ($1 == "Makefile.lib") then @@ -49,4 +49,300 @@ else if ($1 == "Makefile.list") then sed -i -e "s/INC = \(.*\)/INC = \1 $list4/" Makefile.list sed -i -e "s/INC = \(.*\)/INC = \1 $list5/" Makefile.list +else if ($1 == "style") then + + set list = `grep -l ANGLE_CLASS angle_*.h` + if (-e style_angle.tmp) then + rm style_angle.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_angle.tmp + end + if (! -e style_angle.tmp) then + rm style_angle.h + touch style_angle.h + else if (! -e style_angle.h) then + mv style_angle.tmp style_angle.h + rm Obj_*/force.d + else if (`diff style_angle.h style_angle.tmp` != "") then + mv style_angle.tmp style_angle.h + rm Obj_*/force.d + else + rm style_angle.tmp + endif + + set list = `grep -l ATOM_CLASS atom_vec_*.h` + if (-e style_atom.tmp) then + rm style_atom.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_atom.tmp + end + if (! -e style_atom.tmp) then + rm style_atom.h + touch style_atom.h + else if (! -e style_atom.h) then + mv style_atom.tmp style_atom.h + rm Obj_*/atom.d + else if (`diff style_atom.h style_atom.tmp` != "") then + mv style_atom.tmp style_atom.h + rm Obj_*/atom.d + else + rm style_atom.tmp + endif + + set list = `grep -l BOND_CLASS bond_*.h` + if (-e style_bond.tmp) then + rm style_bond.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_bond.tmp + end + if (! -e style_bond.tmp) then + rm style_bond.h + touch style_bond.h + else if (! -e style_bond.h) then + mv style_bond.tmp style_bond.h + rm Obj_*/force.d + else if (`diff style_bond.h style_bond.tmp` != "") then + mv style_bond.tmp style_bond.h + rm Obj_*/force.d + else + rm style_bond.tmp + endif + + set list = `grep -l COMMAND_CLASS *.h` + if (-e style_command.tmp) then + rm style_command.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_command.tmp + end + if (! -e style_command.tmp) then + rm style_command.h + touch style_command.h + else if (! -e style_command.h) then + mv style_command.tmp style_command.h + rm Obj_*/input.d + else if (`diff style_command.h style_command.tmp` != "") then + mv style_command.tmp style_command.h + rm Obj_*/input.d + else + rm style_command.tmp + endif + + set list = `grep -l COMPUTE_CLASS compute_*.h` + if (-e style_compute.tmp) then + rm style_compute.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_compute.tmp + end + if (! -e style_compute.tmp) then + rm style_compute.h + touch style_compute.h + else if (! -e style_compute.h) then + mv style_compute.tmp style_compute.h + rm Obj_*/modify.d + else if (`diff style_compute.h style_compute.tmp` != "") then + mv style_compute.tmp style_compute.h + rm Obj_*/modify.d + else + rm style_compute.tmp + endif + + set list = `grep -l DIHEDRAL_CLASS dihedral_*.h` + if (-e style_dihedral.tmp) then + rm style_dihedral.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_dihedral.tmp + end + if (! -e style_dihedral.tmp) then + rm style_dihedral.h + touch style_dihedral.h + else if (! -e style_dihedral.h) then + mv style_dihedral.tmp style_dihedral.h + rm Obj_*/force.d + else if (`diff style_dihedral.h style_dihedral.tmp` != "") then + mv style_dihedral.tmp style_dihedral.h + rm Obj_*/force.d + else + rm style_dihedral.tmp + endif + + set list = `grep -l DUMP_CLASS dump_*.h` + if (-e style_dump.tmp) then + rm style_dump.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_dump.tmp + end + if (! -e style_dump.tmp) then + rm style_dump.h + touch style_dump.h + else if (! -e style_dump.h) then + mv style_dump.tmp style_dump.h + rm Obj_*/output.d + else if (`diff style_dump.h style_dump.tmp` != "") then + mv style_dump.tmp style_dump.h + rm Obj_*/output.d + else + rm style_dump.tmp + endif + + set list = `grep -l FIX_CLASS fix_*.h` + if (-e style_fix.tmp) then + rm style_fix.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_fix.tmp + end + if (! -e style_fix.tmp) then + rm style_fix.h + touch style_fix.h + else if (! -e style_fix.h) then + mv style_fix.tmp style_fix.h + rm Obj_*/modify.d + else if (`diff style_fix.h style_fix.tmp` != "") then + mv style_fix.tmp style_fix.h + rm Obj_*/modify.d + else + rm style_fix.tmp + endif + + set list = `grep -l IMPROPER_CLASS improper_*.h` + if (-e style_improper.tmp) then + rm style_improper.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_improper.tmp + end + if (! -e style_improper.tmp) then + rm style_improper.h + touch style_improper.h + else if (! -e style_improper.h) then + mv style_improper.tmp style_improper.h + rm Obj_*/force.d + else if (`diff style_improper.h style_improper.tmp` != "") then + mv style_improper.tmp style_improper.h + rm Obj_*/force.d + else + rm style_improper.tmp + endif + + set list = `grep -l INTEGRATE_CLASS *.h` + if (-e style_integrate.tmp) then + rm style_integrate.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_integrate.tmp + end + if (! -e style_integrate.tmp) then + rm style_integrate.h + touch style_integrate.h + else if (! -e style_integrate.h) then + mv style_integrate.tmp style_integrate.h + rm Obj_*/update.d + else if (`diff style_integrate.h style_integrate.tmp` != "") then + mv style_integrate.tmp style_integrate.h + rm Obj_*/update.d + else + rm style_integrate.tmp + endif + + set list = `grep -l KSPACE_CLASS *.h` + if (-e style_kspace.tmp) then + rm style_kspace.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_kspace.tmp + end + if (! -e style_kspace.tmp) then + rm style_kspace.h + touch style_kspace.h + else if (! -e style_kspace.h) then + mv style_kspace.tmp style_kspace.h + rm Obj_*/force.d + else if (`diff style_kspace.h style_kspace.tmp` != "") then + mv style_kspace.tmp style_kspace.h + rm Obj_*/force.d + else + rm style_kspace.tmp + endif + + set list = `grep -l MINIMIZE_CLASS min_*.h` + if (-e style_minimize.tmp) then + rm style_minimize.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_minimize.tmp + end + if (! -e style_minimize.tmp) then + rm style_minimize.h + touch style_minimize.h + else if (! -e style_minimize.h) then + mv style_minimize.tmp style_minimize.h + rm Obj_*/update.d + else if (`diff style_minimize.h style_minimize.tmp` != "") then + mv style_minimize.tmp style_minimize.h + rm Obj_*/update.d + else + rm style_minimize.tmp + endif + + set list = `grep -l PAIR_CLASS pair_*.h` + if (-e style_pair.tmp) then + rm style_pair.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_pair.tmp + end + if (! -e style_pair.tmp) then + rm style_pair.h + touch style_pair.h + else if (! -e style_pair.h) then + mv style_pair.tmp style_pair.h + rm Obj_*/force.d + else if (`diff style_pair.h style_pair.tmp` != "") then + mv style_pair.tmp style_pair.h + rm Obj_*/force.d + else + rm style_pair.tmp + endif + + set list = `grep -l REGION_CLASS region_*.h` + if (-e style_region.tmp) then + rm style_region.tmp + endif + foreach file ($list) + set qfile = \"$file\" + echo "#include $qfile" >>! style_region.tmp + end + if (! -e style_region.tmp) then + rm style_region.h + touch style_region.h + else if (! -e style_region.h) then + mv style_region.tmp style_region.h + rm Obj_*/domain.d + else if (`diff style_region.h style_region.tmp` != "") then + mv style_region.tmp style_region.h + rm Obj_*/domain.d + else + rm style_region.tmp + endif + endif diff --git a/src/Makefile b/src/Makefile index 68245135cd..96e01d7565 100755 --- a/src/Makefile +++ b/src/Makefile @@ -62,7 +62,8 @@ help: .DEFAULT: @test -f MAKE/Makefile.$@ @if [ ! -d Obj_$@ ]; then mkdir Obj_$@; fi - @cp -p $(SRC) $(INC) Obj_$@ + @csh Make.csh style + @cp -p *.cpp *.h Obj_$@ @cp MAKE/Makefile.$@ Obj_$@/Makefile @cp Makefile.package Obj_$@ @cd Obj_$@; \ diff --git a/src/Makefile.package b/src/Makefile.package index 0c8aa9d850..e8b9bb6bd2 100644 --- a/src/Makefile.package +++ b/src/Makefile.package @@ -1,9 +1,9 @@ # Settings for libraries used by specific LAMMPS packages # this file is auto-edited when those packages are included/excluded -PKG_INC = -I../../lib/reax -I../../lib/poems -I../../lib/meam -PKG_PATH = -L../../lib/reax -L../../lib/poems -L../../lib/meam -PKG_LIB = -lreax -lpoems -lmeam +PKG_INC = -I../../lib/atc -I../../lib/reax -I../../lib/poems -I../../lib/meam +PKG_PATH = -L../../lib/atc -L../../lib/reax -L../../lib/poems -L../../lib/meam -L../../lib/gpu +PKG_LIB = -latc -lreax -lpoems -lmeam -lgpu -PKG_SYSPATH = $(reax_SYSPATH) $(meam_SYSPATH) -PKG_SYSLIB = $(reax_SYSLIB) $(meam_SYSLIB) +PKG_SYSPATH = $(user-atc_SYSPATH) $(reax_SYSPATH) $(meam_SYSPATH) $(gpu_SYSPATH) +PKG_SYSLIB = $(user-atc_SYSLIB) $(reax_SYSLIB) $(meam_SYSLIB) $(gpu_SYSLIB) diff --git a/src/OPT/Install.csh b/src/OPT/Install.csh index 2e0d6f6dd0..4cd2724705 100644 --- a/src/OPT/Install.csh +++ b/src/OPT/Install.csh @@ -12,17 +12,6 @@ if ($1 == 1) then cp pair_eam_fs_opt.h .. endif - cp style_opt.h tmp.h - if (! -e ../pair_eam.cpp) then - grep -v eam tmp.h > tmp1.h - mv tmp1.h tmp.h - endif - if (! -e ../pair_lj_charmm_coul_long.cpp) then - grep -v charmm tmp.h > tmp1.h - mv tmp1.h tmp.h - endif - mv tmp.h ../style_opt.h - if (-e ../pair_lj_charmm_coul_long.cpp) then cp pair_lj_charmm_coul_long_opt.cpp .. cp pair_lj_charmm_coul_long_opt.h .. @@ -36,9 +25,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_opt.h - touch ../style_opt.h - rm ../pair_eam_opt.cpp rm ../pair_eam_alloy_opt.cpp rm ../pair_eam_fs_opt.cpp diff --git a/src/OPT/pair_eam_alloy_opt.h b/src/OPT/pair_eam_alloy_opt.h index 961f987eab..507fa44376 100644 --- a/src/OPT/pair_eam_alloy_opt.h +++ b/src/OPT/pair_eam_alloy_opt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_ALLOY_OPT_H -#define PAIR_EAM_ALLOY_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/alloy/opt,PairEAMAlloyOpt) + +#else + +#ifndef LMP_PAIR_EAM_ALLOY_OPT_H +#define LMP_PAIR_EAM_ALLOY_OPT_H #include "pair_eam_alloy.h" #include "pair_eam_opt.h" @@ -31,3 +37,4 @@ class PairEAMAlloyOpt : public PairEAMAlloy, public PairEAMOpt { } #endif +#endif diff --git a/src/OPT/pair_eam_fs_opt.h b/src/OPT/pair_eam_fs_opt.h index 8f04159190..519630880a 100644 --- a/src/OPT/pair_eam_fs_opt.h +++ b/src/OPT/pair_eam_fs_opt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_FS_OPT_H -#define PAIR_EAM_FS_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/fs/opt,PairEAMFSOpt) + +#else + +#ifndef LMP_PAIR_EAM_FS_OPT_H +#define LMP_PAIR_EAM_FS_OPT_H #include "pair_eam_fs.h" #include "pair_eam_opt.h" @@ -32,3 +38,4 @@ class PairEAMFSOpt : public PairEAMFS, public PairEAMOpt { #endif +#endif diff --git a/src/OPT/pair_eam_opt.h b/src/OPT/pair_eam_opt.h index 875cd5c885..a064ba88fe 100644 --- a/src/OPT/pair_eam_opt.h +++ b/src/OPT/pair_eam_opt.h @@ -19,8 +19,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_EAM_OPT_H -#define PAIR_EAM_OPT_H +#ifdef PAIR_CLASS + +PairStyle(eam/opt,PairEAMOpt) + +#else + +#ifndef LMP_PAIR_EAM_OPT_H +#define LMP_PAIR_EAM_OPT_H #include "math.h" #include "stdlib.h" @@ -322,3 +328,4 @@ void PairEAMOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_lj_charmm_coul_long_opt.h b/src/OPT/pair_lj_charmm_coul_long_opt.h index b8bdb2bfe1..bc1171e5ae 100644 --- a/src/OPT/pair_lj_charmm_coul_long_opt.h +++ b/src/OPT/pair_lj_charmm_coul_long_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CHARMM_COUL_LONG_OPT_H -#define PAIR_LJ_CHARMM_COUL_LONG_OPT_H +#ifdef PAIR_CLASS + +PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) + +#else + +#ifndef LMP_PAIR_LJ_CHARMM_COUL_LONG_OPT_H +#define LMP_PAIR_LJ_CHARMM_COUL_LONG_OPT_H #include "math.h" #include "stdlib.h" @@ -338,3 +344,4 @@ void PairLJCharmmCoulLongOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_lj_cut_opt.h b/src/OPT/pair_lj_cut_opt.h index 6a9e9c514c..c5122f6d72 100644 --- a/src/OPT/pair_lj_cut_opt.h +++ b/src/OPT/pair_lj_cut_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_OPT_H -#define PAIR_LJ_CUT_OPT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/opt,PairLJCutOpt) + +#else + +#ifndef LMP_PAIR_LJ_CUT_OPT_H +#define LMP_PAIR_LJ_CUT_OPT_H #include "stdlib.h" #include "pair_lj_cut.h" @@ -188,3 +194,4 @@ void PairLJCutOpt::eval() } #endif +#endif diff --git a/src/OPT/pair_morse_opt.h b/src/OPT/pair_morse_opt.h index dc5b2b9fc4..a8bfa1ec49 100644 --- a/src/OPT/pair_morse_opt.h +++ b/src/OPT/pair_morse_opt.h @@ -18,8 +18,14 @@ Vincent Natol, Stone Ridge Technology ------------------------------------------------------------------------- */ -#ifndef PAIR_MORSE_OPT_H -#define PAIR_MORSE_OPT_H +#ifdef PAIR_CLASS + +PairStyle(morse/opt,PairMorseOpt) + +#else + +#ifndef LMP_PAIR_MORSE_OPT_H +#define LMP_PAIR_MORSE_OPT_H #include "math.h" #include "stdlib.h" @@ -185,3 +191,4 @@ void PairMorseOpt::eval() } #endif +#endif diff --git a/src/OPT/style_opt.h b/src/OPT/style_opt.h deleted file mode 100644 index 061816e136..0000000000 --- a/src/OPT/style_opt.h +++ /dev/null @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_eam_opt.h" -#include "pair_eam_alloy_opt.h" -#include "pair_eam_fs_opt.h" -#include "pair_lj_charmm_coul_long_opt.h" -#include "pair_lj_cut_opt.h" -#include "pair_morse_opt.h" -#endif - -#ifdef PairClass -PairStyle(eam/opt,PairEAMOpt) -PairStyle(eam/alloy/opt,PairEAMAlloyOpt) -PairStyle(eam/fs/opt,PairEAMFSOpt) -PairStyle(lj/cut/opt,PairLJCutOpt) -PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) -PairStyle(morse/opt,PairMorseOpt) -#endif diff --git a/src/PERI/Install.csh b/src/PERI/Install.csh index 4321be0177..d4cbf432db 100644 --- a/src/PERI/Install.csh +++ b/src/PERI/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_peri.h .. - cp atom_vec_peri.cpp .. cp pair_peri_pmb.cpp .. cp fix_peri_neigh.cpp .. @@ -16,9 +14,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm -f ../style_peri.h - touch ../style_peri.h - rm -f ../atom_vec_peri.cpp rm -f ../pair_peri_pmb.cpp rm -f ../fix_peri_neigh.cpp diff --git a/src/PERI/atom_vec_peri.h b/src/PERI/atom_vec_peri.h index 964af8fb9b..db187dda32 100755 --- a/src/PERI/atom_vec_peri.h +++ b/src/PERI/atom_vec_peri.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_PERI_H -#define ATOM_VEC_PERI_H +#ifdef ATOM_CLASS + +AtomStyle(peri,AtomVecPeri) + +#else + +#ifndef LMP_ATOM_VEC_PERI_H +#define LMP_ATOM_VEC_PERI_H #include "atom_vec.h" @@ -57,3 +63,4 @@ class AtomVecPeri : public AtomVec { } #endif +#endif diff --git a/src/PERI/compute_damage_atom.h b/src/PERI/compute_damage_atom.h index 47346549e4..3252928947 100644 --- a/src/PERI/compute_damage_atom.h +++ b/src/PERI/compute_damage_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DAMAGE_ATOM_H -#define COMPUTE_DAMAGE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(damage/atom,ComputeDamageAtom) + +#else + +#ifndef LMP_COMPUTE_DAMAGE_ATOM_H +#define LMP_COMPUTE_DAMAGE_ATOM_H #include "compute.h" @@ -35,3 +41,4 @@ class ComputeDamageAtom : public Compute { } #endif +#endif diff --git a/src/PERI/fix_peri_neigh.h b/src/PERI/fix_peri_neigh.h index 933153b8c4..34626136b2 100644 --- a/src/PERI/fix_peri_neigh.h +++ b/src/PERI/fix_peri_neigh.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PERI_NEIGH_H -#define FIX_PERI_NEIGH_H +#ifdef FIX_CLASS + +FixStyle(PERI_NEIGH,FixPeriNeigh) + +#else + +#ifndef LMP_FIX_PERI_NEIGH_H +#define LMP_FIX_PERI_NEIGH_H #include "fix.h" @@ -54,3 +60,4 @@ class FixPeriNeigh : public Fix { } #endif +#endif diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h index 40cbad2667..98030c85d9 100644 --- a/src/PERI/pair_peri_pmb.h +++ b/src/PERI/pair_peri_pmb.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_PERI_PMB_H -#define PAIR_PERI_PMB_H +#ifdef PAIR_CLASS + +PairStyle(peri/pmb,PairPeriPMB) + +#else + +#ifndef LMP_PAIR_PERI_PMB_H +#define LMP_PAIR_PERI_PMB_H #include "pair.h" @@ -49,3 +55,4 @@ class PairPeriPMB : public Pair { } #endif +#endif diff --git a/src/PERI/style_peri.h b/src/PERI/style_peri.h deleted file mode 100644 index 1d840255a0..0000000000 --- a/src/PERI/style_peri.h +++ /dev/null @@ -1,45 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_peri.h" -#endif - -#ifdef AtomClass -AtomStyle(peri,AtomVecPeri) -# endif - -#ifdef FixInclude -#include "fix_peri_neigh.h" -#endif - -#ifdef FixClass -FixStyle(PERI_NEIGH,FixPeriNeigh) -#endif - -#ifdef PairInclude -#include "pair_peri_pmb.h" -#endif - -#ifdef PairClass -PairStyle(peri/pmb,PairPeriPMB) -#endif - -#ifdef ComputeInclude -#include "compute_damage_atom.h" -#endif - -#ifdef ComputeClass -ComputeStyle(damage/atom,ComputeDamageAtom) -#endif - diff --git a/src/POEMS/Install.csh b/src/POEMS/Install.csh index b2bcb2f1e1..5be3629a29 100644 --- a/src/POEMS/Install.csh +++ b/src/POEMS/Install.csh @@ -8,8 +8,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_PATH =[ \t]*|&-L../../lib/poems |' ../Makefile.package sed -i -e 's|^PKG_LIB =[ \t]*|&-lpoems |' ../Makefile.package - cp style_poems.h .. - cp fix_poems.cpp .. cp fix_poems.h .. @@ -18,9 +16,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*poems //' ../Makefile.package - rm ../style_poems.h - touch ../style_poems.h - rm ../fix_poems.cpp rm ../fix_poems.h diff --git a/src/POEMS/fix_poems.h b/src/POEMS/fix_poems.h index c4c52da4f5..c0269df1e9 100644 --- a/src/POEMS/fix_poems.h +++ b/src/POEMS/fix_poems.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------ */ -#ifndef FIX_POEMS_H -#define FIX_POEMS_H +#ifdef FIX_CLASS + +FixStyle(poems,FixPOEMS) + +#else + +#ifndef LMP_FIX_POEMS_H +#define LMP_FIX_POEMS_H #include "fix.h" @@ -106,3 +112,4 @@ class FixPOEMS : public Fix { } #endif +#endif diff --git a/src/POEMS/style_poems.h b/src/POEMS/style_poems.h deleted file mode 100644 index 0434d02bf8..0000000000 --- a/src/POEMS/style_poems.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_poems.h" -#endif - -#ifdef FixClass -FixStyle(poems,FixPOEMS) -#endif diff --git a/src/PRD/Install.csh b/src/PRD/Install.csh index 3e73cf3c58..ad49bc8bb2 100644 --- a/src/PRD/Install.csh +++ b/src/PRD/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_prd.h .. - cp compute_event_displace.cpp .. cp fix_event.cpp .. cp prd.cpp .. @@ -14,9 +12,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_prd.h - touch ../style_prd.h - rm ../compute_event_displace.cpp rm ../fix_event.cpp rm ../prd.cpp diff --git a/src/PRD/compute_event_displace.h b/src/PRD/compute_event_displace.h index ece5a262e9..393e4d1bec 100644 --- a/src/PRD/compute_event_displace.h +++ b/src/PRD/compute_event_displace.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_EVENT_DISPLACE_H -#define COMPUTE_EVENT_DISPLACE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(event/displace,ComputeEventDisplace) + +#else + +#ifndef LMP_COMPUTE_EVENT_DISPLACE_H +#define LMP_COMPUTE_EVENT_DISPLACE_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeEventDisplace : public Compute { } #endif +#endif diff --git a/src/PRD/fix_event.h b/src/PRD/fix_event.h index ce58d5c6f4..6dc0b1ca2f 100644 --- a/src/PRD/fix_event.h +++ b/src/PRD/fix_event.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EVENT_H -#define FIX_EVENT_H +#ifdef FIX_CLASS + +FixStyle(EVENT,FixEvent) + +#else + +#ifndef LMP_FIX_EVENT_H +#define LMP_FIX_EVENT_H #include "fix.h" @@ -53,3 +59,4 @@ class FixEvent : public Fix { } #endif +#endif diff --git a/src/PRD/prd.h b/src/PRD/prd.h index a2d88267ea..8974df7b6c 100644 --- a/src/PRD/prd.h +++ b/src/PRD/prd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PRD_H -#define PRD_H +#ifdef COMMAND_CLASS + +CommandStyle(prd,PRD) + +#else + +#ifndef LMP_PRD_H +#define LMP_PRD_H #include "pointers.h" @@ -63,3 +69,4 @@ class PRD : protected Pointers { } #endif +#endif diff --git a/src/PRD/style_prd.h b/src/PRD/style_prd.h deleted file mode 100644 index 7db4a277ee..0000000000 --- a/src/PRD/style_prd.h +++ /dev/null @@ -1,36 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef CommandInclude -#include "prd.h" -#endif - -#ifdef CommandClass -CommandStyle(prd,PRD) -#endif - -#ifdef ComputeInclude -#include "compute_event_displace.h" -#endif - -#ifdef ComputeClass -ComputeStyle(event/displace,ComputeEventDisplace) -#endif - -#ifdef FixInclude -#include "fix_event.h" -#endif - -#ifdef FixClass -FixStyle(EVENT,FixEvent) -#endif diff --git a/src/REAX/Install.csh b/src/REAX/Install.csh index ee7b4b4781..b3a38d2a5b 100644 --- a/src/REAX/Install.csh +++ b/src/REAX/Install.csh @@ -11,8 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(reax_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(reax_SYSLIB) |' ../Makefile.package - cp style_reax.h .. - cp pair_reax.cpp .. cp pair_reax.h .. cp pair_reax_fortran.h .. @@ -25,9 +23,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*reax //' ../Makefile.package sed -i -e 's/[^ \t]*reax_[^ \t]*) //' ../Makefile.package - rm ../style_reax.h - touch ../style_reax.h - rm ../pair_reax.cpp rm ../pair_reax.h rm ../pair_reax_fortran.h diff --git a/src/REAX/fix_reax_bonds.h b/src/REAX/fix_reax_bonds.h index 21a0100a56..3e41432e98 100644 --- a/src/REAX/fix_reax_bonds.h +++ b/src/REAX/fix_reax_bonds.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_REAX_BONDS_H -#define FIX_REAX_BONDS_H +#ifdef FIX_CLASS + +FixStyle(reax/bonds,FixReaxBonds) + +#else + +#ifndef LMP_FIX_REAX_BONDS_H +#define LMP_FIX_REAX_BONDS_H #include "stdio.h" #include "fix.h" @@ -40,3 +46,4 @@ class FixReaxBonds : public Fix { } #endif +#endif diff --git a/src/REAX/pair_reax.h b/src/REAX/pair_reax.h index 3c3aa215b1..d35be0cf98 100644 --- a/src/REAX/pair_reax.h +++ b/src/REAX/pair_reax.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_REAX_H -#define PAIR_REAX_H +#ifdef PAIR_CLASS + +PairStyle(reax,PairREAX) + +#else + +#ifndef LMP_PAIR_REAX_H +#define LMP_PAIR_REAX_H #include "pair.h" @@ -88,3 +94,4 @@ class PairREAX : public Pair { } #endif +#endif diff --git a/src/REAX/style_reax.h b/src/REAX/style_reax.h deleted file mode 100644 index 8a3af6048c..0000000000 --- a/src/REAX/style_reax.h +++ /dev/null @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_reax_bonds.h" -#endif - -#ifdef PairInclude -#include "pair_reax.h" -#endif - -#ifdef FixClass -FixStyle(reax/bonds,FixReaxBonds) -#endif - -#ifdef PairClass -PairStyle(reax,PairREAX) -#endif diff --git a/src/USER-ACKLAND/Install.csh b/src/USER-ACKLAND/Install.csh index 6eb55a57ca..bd85762ef4 100644 --- a/src/USER-ACKLAND/Install.csh +++ b/src/USER-ACKLAND/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp style_user_ackland.h .. - cp compute_ackland_atom.cpp .. cp compute_ackland_atom.h .. else if ($1 == 0) then - rm ../style_user_ackland.h - touch ../style_user_ackland.h - rm ../compute_ackland_atom.cpp rm ../compute_ackland_atom.h diff --git a/src/USER-ACKLAND/compute_ackland_atom.h b/src/USER-ACKLAND/compute_ackland_atom.h index 1c10110a45..946827c406 100644 --- a/src/USER-ACKLAND/compute_ackland_atom.h +++ b/src/USER-ACKLAND/compute_ackland_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_ACKLAND_ATOM_H -#define COMPUTE_ACKLAND_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ackland/atom,ComputeAcklandAtom) + +#else + +#ifndef LMP_COMPUTE_ACKLAND_ATOM_H +#define LMP_COMPUTE_ACKLAND_ATOM_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeAcklandAtom : public Compute { } #endif +#endif diff --git a/src/USER-ACKLAND/style_user_ackland.h b/src/USER-ACKLAND/style_user_ackland.h deleted file mode 100644 index 6e7483a9f7..0000000000 --- a/src/USER-ACKLAND/style_user_ackland.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef ComputeInclude -#include "compute_ackland_atom.h" -#endif - -#ifdef ComputeClass -ComputeStyle(ackland/atom,ComputeAcklandAtom) -#endif diff --git a/src/USER-ATC/Install.csh b/src/USER-ATC/Install.csh index 1f37ffd085..47d2db12a4 100755 --- a/src/USER-ATC/Install.csh +++ b/src/USER-ATC/Install.csh @@ -11,8 +11,6 @@ if ($1 == 1) then sed -i -e 's|^PKG_SYSPATH =[ \t]*|&$(user-atc_SYSPATH) |' ../Makefile.package sed -i -e 's|^PKG_SYSLIB =[ \t]*|&$(user-atc_SYSLIB) |' ../Makefile.package - cp style_user_atc.h .. - cp fix_atc.h .. cp fix_atc.cpp .. @@ -21,9 +19,6 @@ else if ($1 == 0) then sed -i -e 's/[^ \t]*atc //' ../Makefile.package sed -i -e 's/[^ \t]*atc_[^ \t]*) //' ../Makefile.package - rm ../style_user_atc.h - touch ../style_user_atc.h - rm ../fix_atc.h rm ../fix_atc.cpp diff --git a/src/USER-ATC/fix_atc.h b/src/USER-ATC/fix_atc.h index 3dfacf1930..de9f1539ef 100644 --- a/src/USER-ATC/fix_atc.h +++ b/src/USER-ATC/fix_atc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ATC_H -#define FIX_ATC_H +#ifdef FIX_CLASS + +FixStyle(atc,FixATC) + +#else + +#ifndef LMP_FIX_ATC_H +#define LMP_FIX_ATC_H #include "fix.h" @@ -84,3 +90,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-ATC/style_user_atc.h b/src/USER-ATC/style_user_atc.h deleted file mode 100644 index 95f6fe86d7..0000000000 --- a/src/USER-ATC/style_user_atc.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_atc.h" -#endif - -#ifdef FixClass -FixStyle(atc,FixATC) -#endif diff --git a/src/USER-CD-EAM/Install.csh b/src/USER-CD-EAM/Install.csh index 60f847809a..95c17500f9 100755 --- a/src/USER-CD-EAM/Install.csh +++ b/src/USER-CD-EAM/Install.csh @@ -2,16 +2,11 @@ if ($1 == 1) then - cp style_user_cd_eam.h .. - cp pair_cdeam.cpp .. cp pair_cdeam.h .. else if ($1 == 0) then - rm ../style_user_cd_eam.h - touch ../style_user_cd_eam.h - rm ../pair_cdeam.cpp rm ../pair_cdeam.h diff --git a/src/USER-CD-EAM/pair_cdeam.h b/src/USER-CD-EAM/pair_cdeam.h index 3f121d461b..e39923d568 100644 --- a/src/USER-CD-EAM/pair_cdeam.h +++ b/src/USER-CD-EAM/pair_cdeam.h @@ -11,8 +11,15 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CDEAM_H -#define PAIR_CDEAM_H +#ifdef PAIR_CLASS + +PairStyle(eam/cd,PairCDEAM_OneSite) +PairStyle(eam/cd/old,PairCDEAM_TwoSite) + +#else + +#ifndef LMP_PAIR_CDEAM_H +#define LMP_PAIR_CDEAM_H #include "pair_eam_alloy.h" @@ -220,3 +227,4 @@ public: }; #endif +#endif diff --git a/src/USER-CD-EAM/style_user_cd_eam.h b/src/USER-CD-EAM/style_user_cd_eam.h deleted file mode 100755 index 1c3bebd873..0000000000 --- a/src/USER-CD-EAM/style_user_cd_eam.h +++ /dev/null @@ -1,21 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_cdeam.h" -#endif - -#ifdef PairClass -PairStyle(eam/cd,PairCDEAM_OneSite) -PairStyle(eam/cd/old,PairCDEAM_TwoSite) -#endif diff --git a/src/USER-CG-CMM/Install.csh b/src/USER-CG-CMM/Install.csh index f47836d48f..80b501dbf7 100644 --- a/src/USER-CG-CMM/Install.csh +++ b/src/USER-CG-CMM/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_user_cg_cmm.h .. - cp angle_cg_cmm.h .. cp angle_cg_cmm.cpp .. @@ -21,9 +19,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_user_cg_cmm.h - touch ../style_user_cg_cmm.h - rm ../angle_cg_cmm.h rm ../angle_cg_cmm.cpp diff --git a/src/USER-CG-CMM/angle_cg_cmm.h b/src/USER-CG-CMM/angle_cg_cmm.h index c34ac71f11..ebf3da7663 100644 --- a/src/USER-CG-CMM/angle_cg_cmm.h +++ b/src/USER-CG-CMM/angle_cg_cmm.h @@ -8,14 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -/* ---------------------------------------------------------------------- - Special Angle Potential for the CMM coarse grained MD potentials. - Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> -------------------------------------------------------------------------- */ +#ifdef ANGLE_CLASS +AngleStyle(cg/cmm,AngleCGCMM) -#ifndef ANGLE_CG_CMM_H -#define ANGLE_CG_CMM_H +#else + +#ifndef LMP_ANGLE_CG_CMM_H +#define LMP_ANGLE_CG_CMM_H #include "stdio.h" #include "angle.h" @@ -49,3 +49,4 @@ class AngleCGCMM : public Angle, public CGCMMParms { } #endif +#endif diff --git a/src/USER-CG-CMM/cg_cmm_parms.h b/src/USER-CG-CMM/cg_cmm_parms.h index 3815cbb5ef..7239744136 100644 --- a/src/USER-CG-CMM/cg_cmm_parms.h +++ b/src/USER-CG-CMM/cg_cmm_parms.h @@ -13,8 +13,8 @@ Contributing author: Axel Kohlmeyer <akohlmey@cmm.chem.upenn.edu> ------------------------------------------------------------------------- */ -#ifndef CG_CMM_PARMS_H -#define CG_CMM_PARMS_H +#ifndef LMP_CG_CMM_PARMS_H +#define LMP_CG_CMM_PARMS_H namespace LAMMPS_NS { diff --git a/src/USER-CG-CMM/pair_cg_cmm.h b/src/USER-CG-CMM/pair_cg_cmm.h index f3de701298..190aab66ce 100644 --- a/src/USER-CG-CMM/pair_cg_cmm.h +++ b/src/USER-CG-CMM/pair_cg_cmm.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_H -#define PAIR_CG_CMM_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm,PairCGCMM) + +#else + +#ifndef LMP_PAIR_CG_CMM_H +#define LMP_PAIR_CG_CMM_H #include "pair_cmm_common.h" @@ -39,3 +45,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h index a74ab33a73..1e4d06003d 100644 --- a/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h +++ b/src/USER-CG-CMM/pair_cg_cmm_coul_cut.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_COUL_CUT_H -#define PAIR_CG_CMM_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm/coul/cut,PairCGCMMCoulCut) + +#else + +#ifndef LMP_PAIR_CG_CMM_COUL_CUT_H +#define LMP_PAIR_CG_CMM_COUL_CUT_H #include "pair_cmm_common.h" @@ -41,3 +47,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cg_cmm_coul_long.h b/src/USER-CG-CMM/pair_cg_cmm_coul_long.h index 96dcc81e4d..c1a272a1d6 100644 --- a/src/USER-CG-CMM/pair_cg_cmm_coul_long.h +++ b/src/USER-CG-CMM/pair_cg_cmm_coul_long.h @@ -8,8 +8,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_CG_CMM_COUL_LONG_H -#define PAIR_CG_CMM_COUL_LONG_H +#ifdef PAIR_CLASS + +PairStyle(cg/cmm/coul/long,PairCGCMMCoulLong) + +#else + +#ifndef LMP_PAIR_CG_CMM_COUL_LONG_H +#define LMP_PAIR_CG_CMM_COUL_LONG_H #include "pair_cmm_common.h" @@ -44,3 +50,4 @@ namespace LAMMPS_NS { } #endif +#endif diff --git a/src/USER-CG-CMM/pair_cmm_common.h b/src/USER-CG-CMM/pair_cmm_common.h index 46b3111579..72686cdb39 100644 --- a/src/USER-CG-CMM/pair_cmm_common.h +++ b/src/USER-CG-CMM/pair_cmm_common.h @@ -13,8 +13,8 @@ Contributing author: Axel Kohlmeyer <akohlmey@gmail.com> ------------------------------------------------------------------------- */ -#ifndef PAIR_CMM_COMMON_H -#define PAIR_CMM_COMMON_H +#ifndef LMP_PAIR_CMM_COMMON_H +#define LMP_PAIR_CMM_COMMON_H #include "pair.h" #include "atom.h" diff --git a/src/USER-CG-CMM/style_user_cg_cmm.h b/src/USER-CG-CMM/style_user_cg_cmm.h deleted file mode 100644 index 525eee3dd8..0000000000 --- a/src/USER-CG-CMM/style_user_cg_cmm.h +++ /dev/null @@ -1,32 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_cg_cmm.h" -#endif - -#ifdef AngleClass -AngleStyle(cg/cmm,AngleCGCMM) -#endif - -#ifdef PairInclude -#include "pair_cg_cmm.h" -#include "pair_cg_cmm_coul_cut.h" -#include "pair_cg_cmm_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(cg/cmm,PairCGCMM) -PairStyle(cg/cmm/coul/cut,PairCGCMMCoulCut) -PairStyle(cg/cmm/coul/long,PairCGCMMCoulLong) -#endif diff --git a/src/USER-EWALDN/Install.csh b/src/USER-EWALDN/Install.csh index 786946702a..2e9260038d 100644 --- a/src/USER-EWALDN/Install.csh +++ b/src/USER-EWALDN/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp -p style_user_ewaldn.h .. - cp -p ewald_n.cpp .. cp -p pair_buck_coul.cpp .. cp -p pair_lj_coul.cpp .. @@ -17,9 +15,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_user_ewaldn.h - touch ../style_user_ewaldn.h - rm ../ewald_n.cpp rm ../pair_buck_coul.cpp rm ../pair_lj_coul.cpp diff --git a/src/USER-EWALDN/ewald_n.h b/src/USER-EWALDN/ewald_n.h index 235a39d49f..dcd372d2e0 100644 --- a/src/USER-EWALDN/ewald_n.h +++ b/src/USER-EWALDN/ewald_n.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef EWALD_N_H -#define EWALD_N_H +#ifdef KSPACE_CLASS + +KSpaceStyle(ewald/n,EwaldN) + +#else + +#ifndef LMP_EWALD_N_H +#define LMP_EWALD_N_H #include "kspace.h" #include "math_complex.h" @@ -73,4 +79,4 @@ class EwaldN : public KSpace { } #endif - +#endif diff --git a/src/USER-EWALDN/math_complex.h b/src/USER-EWALDN/math_complex.h index 01d98f95e6..8bbb79356a 100644 --- a/src/USER-EWALDN/math_complex.h +++ b/src/USER-EWALDN/math_complex.h @@ -15,8 +15,8 @@ Contributing author: Pieter J. in 't Veld (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_COMPLEX_H -#define MATH_COMPLEX_H +#ifndef LMP_MATH_COMPLEX_H +#define LMP_MATH_COMPLEX_H #define COMPLEX_NULL {0, 0} diff --git a/src/USER-EWALDN/math_vector.h b/src/USER-EWALDN/math_vector.h index f7747fcdb0..3ab4caf523 100644 --- a/src/USER-EWALDN/math_vector.h +++ b/src/USER-EWALDN/math_vector.h @@ -15,8 +15,8 @@ Contributing author: Pieter J. in 't Veld (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_VECTOR_H -#define MATH_VECTOR_H +#ifndef LMP_MATH_VECTOR_H +#define LMP_MATH_VECTOR_H #include "math.h" diff --git a/src/USER-EWALDN/pair_buck_coul.h b/src/USER-EWALDN/pair_buck_coul.h index 0684dc9ce4..e19759e46d 100644 --- a/src/USER-EWALDN/pair_buck_coul.h +++ b/src/USER-EWALDN/pair_buck_coul.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_COUL_H -#define PAIR_BUCK_COUL_H +#ifdef PAIR_CLASS + +PairStyle(buck/coul,PairBuckCoul) + +#else + +#ifndef LMP_PAIR_BUCK_COUL_H +#define LMP_PAIR_BUCK_COUL_H #include "pair.h" @@ -67,3 +73,4 @@ class PairBuckCoul : public Pair { } #endif +#endif diff --git a/src/USER-EWALDN/pair_lj_coul.h b/src/USER-EWALDN/pair_lj_coul.h index d54c45c496..815c5c548e 100644 --- a/src/USER-EWALDN/pair_lj_coul.h +++ b/src/USER-EWALDN/pair_lj_coul.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_COUL_H -#define PAIR_LJ_COUL_H +#ifdef PAIR_CLASS + +PairStyle(lj/coul,PairLJCoul) + +#else + +#ifndef LMP_PAIR_LJ_COUL_H +#define LMP_PAIR_LJ_COUL_H #include "pair.h" @@ -66,3 +72,4 @@ class PairLJCoul : public Pair { } #endif +#endif diff --git a/src/USER-EWALDN/style_user_ewaldn.h b/src/USER-EWALDN/style_user_ewaldn.h deleted file mode 100644 index 3eafa50744..0000000000 --- a/src/USER-EWALDN/style_user_ewaldn.h +++ /dev/null @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef KSpaceInclude -#include "ewald_n.h" -#endif - -#ifdef KSpaceClass -KSpaceStyle(ewald/n,EwaldN) -#endif - -#ifdef PairInclude -#include "pair_buck_coul.h" -#include "pair_lj_coul.h" -#endif - -#ifdef PairClass -PairStyle(buck/coul,PairBuckCoul) -PairStyle(lj/coul,PairLJCoul) -#endif diff --git a/src/USER-IMD/Install.csh b/src/USER-IMD/Install.csh index 5e0474673e..7ee2b47e3e 100644 --- a/src/USER-IMD/Install.csh +++ b/src/USER-IMD/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp -p style_user_imd.h .. - cp -p fix_imd.cpp .. cp -p fix_imd.h .. else if ($1 == 0) then - rm ../style_user_imd.h - touch ../style_user_imd.h - rm ../fix_imd.cpp rm ../fix_imd.h diff --git a/src/USER-IMD/fix_imd.h b/src/USER-IMD/fix_imd.h index 906d8e7f8f..b512659db7 100644 --- a/src/USER-IMD/fix_imd.h +++ b/src/USER-IMD/fix_imd.h @@ -41,8 +41,14 @@ license with Illinois. Licensee may contact Illinois (vmd@ks.uiuc.edu) to negotiate an appropriate license for such distribution." ------------------------------------------------------------------------- */ -#ifndef FIX_IMD_H -#define FIX_IMD_H +#ifdef FIX_CLASS + +FixStyle(imd,FixIMD) + +#else + +#ifndef LMP_FIX_IMD_H +#define LMP_FIX_IMD_H #include "fix.h" @@ -91,6 +97,7 @@ class FixIMD : public Fix { } +#endif #endif // Local Variables: @@ -100,4 +107,3 @@ class FixIMD : public Fix { // fill-column: 76 // indent-tabs-mode: nil // End: - diff --git a/src/USER-IMD/style_user_imd.h b/src/USER-IMD/style_user_imd.h deleted file mode 100644 index 9b44bbdeb4..0000000000 --- a/src/USER-IMD/style_user_imd.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_imd.h" -#endif - -#ifdef FixClass -FixStyle(imd,FixIMD) -#endif diff --git a/src/USER-SMD/Install.csh b/src/USER-SMD/Install.csh index 1fc6a671fd..d5fa4c3d76 100644 --- a/src/USER-SMD/Install.csh +++ b/src/USER-SMD/Install.csh @@ -2,17 +2,12 @@ if ($1 == 1) then - cp -p style_user_smd.h .. - cp -p fix_smd.cpp .. cp -p fix_smd.h .. else if ($1 == 0) then - rm ../style_user_smd.h - touch ../style_user_smd.h - rm ../fix_smd.cpp rm ../fix_smd.h diff --git a/src/USER-SMD/fix_smd.h b/src/USER-SMD/fix_smd.h index 0a2da064da..5319ca9558 100644 --- a/src/USER-SMD/fix_smd.h +++ b/src/USER-SMD/fix_smd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SMD_H -#define FIX_SMD_H +#ifdef FIX_CLASS + +FixStyle(smd,FixSMD) + +#else + +#ifndef LMP_FIX_SMD_H +#define LMP_FIX_SMD_H #include "fix.h" @@ -51,3 +57,4 @@ class FixSMD : public Fix { } #endif +#endif diff --git a/src/USER-SMD/style_user_smd.h b/src/USER-SMD/style_user_smd.h deleted file mode 100644 index e9f017ac2b..0000000000 --- a/src/USER-SMD/style_user_smd.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_smd.h" -#endif - -#ifdef FixClass -FixStyle(smd,FixSMD) -#endif diff --git a/src/XTC/Install.csh b/src/XTC/Install.csh index bb1573f031..5f0a54a13f 100644 --- a/src/XTC/Install.csh +++ b/src/XTC/Install.csh @@ -2,8 +2,6 @@ if ($1 == 1) then - cp style_xtc.h .. - cp dump_xtc.cpp .. cp dump_xtc.h .. @@ -13,9 +11,6 @@ if ($1 == 1) then else if ($1 == 0) then - rm ../style_xtc.h - touch ../style_xtc.h - rm ../dump_xtc.cpp rm ../dump_xtc.h diff --git a/src/XTC/dump_xtc.h b/src/XTC/dump_xtc.h index eabbb2b3ff..34392ea1d9 100644 --- a/src/XTC/dump_xtc.h +++ b/src/XTC/dump_xtc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_XTC_H -#define DUMP_XTC_H +#ifdef DUMP_CLASS + +DumpStyle(xtc,DumpXTC) + +#else + +#ifndef LMP_DUMP_XTC_H +#define LMP_DUMP_XTC_H #include "dump.h" @@ -53,3 +59,4 @@ class DumpXTC : public Dump { } #endif +#endif diff --git a/src/XTC/style_xtc.h b/src/XTC/style_xtc.h deleted file mode 100644 index 7110dda312..0000000000 --- a/src/XTC/style_xtc.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef DumpInclude -#include "dump_xtc.h" -#endif - -#ifdef DumpClass -DumpStyle(xtc,DumpXTC) -#endif diff --git a/src/XTC/xdr_compat.h b/src/XTC/xdr_compat.h index 78863c2130..c52fa5198a 100644 --- a/src/XTC/xdr_compat.h +++ b/src/XTC/xdr_compat.h @@ -1,5 +1,5 @@ -#ifndef XDR_COMPAT_H -#define XDR_COMPAT_H +#ifndef LMP_XDR_COMPAT_H +#define LMP_XDR_COMPAT_H #include <limits.h> #include <stdio.h> @@ -83,12 +83,12 @@ enum xdr_op { XDR_FREE = 2 }; -#ifndef FALSE -# define FALSE (0) -#endif -#ifndef TRUE -# define TRUE (1) +#ifndef LMP_FALSE +# dLMP_efine FALSE (0) #endif +#ifndef LMP_TRUE +# dLMP_efine TLMP_RUE (1) +#endifLMP_ #define BYTES_PER_XDR_UNIT (4) diff --git a/src/angle.h b/src/angle.h index a73db948bc..db1a6ae02f 100644 --- a/src/angle.h +++ b/src/angle.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ANGLE_H -#define ANGLE_H +#ifndef LMP_ANGLE_H +#define LMP_ANGLE_H #include "stdio.h" #include "pointers.h" diff --git a/src/atom.cpp b/src/atom.cpp index 38186944e0..0b1f2db553 100644 --- a/src/atom.cpp +++ b/src/atom.cpp @@ -16,6 +16,7 @@ #include "stdlib.h" #include "string.h" #include "atom.h" +#include "style_atom.h" #include "atom_vec.h" #include "comm.h" #include "force.h" @@ -29,10 +30,6 @@ #include "memory.h" #include "error.h" -#define AtomInclude -#include "style.h" -#undef AtomInclude - using namespace LAMMPS_NS; #define DELTA 1 @@ -252,11 +249,11 @@ AtomVec *Atom::new_avec(const char *style, int narg, char **arg) { if (0) return NULL; -#define AtomClass +#define ATOM_CLASS #define AtomStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp,narg,arg); -#include "style.h" -#undef AtomClass +#include "style_atom.h" +#undef ATOM_CLASS else error->all("Invalid atom style"); return NULL; diff --git a/src/atom.h b/src/atom.h index 33d4668e78..13bf637ae4 100644 --- a/src/atom.h +++ b/src/atom.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_H -#define ATOM_H +#ifndef LMP_ATOM_H +#define LMP_ATOM_H #include "pointers.h" diff --git a/src/atom_vec.h b/src/atom_vec.h index 92ea2d9011..71ffb1dd46 100644 --- a/src/atom_vec.h +++ b/src/atom_vec.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FOO_H -#define FOO_H +#ifndef LMP_ATOM_VEC_H +#define LMP_ATOM_VEC_H #include "pointers.h" diff --git a/src/atom_vec_atomic.h b/src/atom_vec_atomic.h index 25cda44bde..af7de46d80 100644 --- a/src/atom_vec_atomic.h +++ b/src/atom_vec_atomic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_ATOMIC_H -#define ATOM_VEC_ATOMIC_H +#ifdef ATOM_CLASS + +AtomStyle(atomic,AtomVecAtomic) + +#else + +#ifndef LMP_ATOM_VEC_ATOMIC_H +#define LMP_ATOM_VEC_ATOMIC_H #include "atom_vec.h" @@ -52,3 +58,4 @@ class AtomVecAtomic : public AtomVec { } #endif +#endif diff --git a/src/atom_vec_charge.h b/src/atom_vec_charge.h index 81a6374a13..20a1cd221c 100644 --- a/src/atom_vec_charge.h +++ b/src/atom_vec_charge.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_CHARGE_H -#define ATOM_VEC_CHARGE_H +#ifdef ATOM_CLASS + +AtomStyle(charge,AtomVecCharge) + +#else + +#ifndef LMP_ATOM_VEC_CHARGE_H +#define LMP_ATOM_VEC_CHARGE_H #include "atom_vec.h" @@ -55,3 +61,4 @@ class AtomVecCharge : public AtomVec { } #endif +#endif diff --git a/src/atom_vec_hybrid.h b/src/atom_vec_hybrid.h index 036bddaa6a..ac0e1c178e 100644 --- a/src/atom_vec_hybrid.h +++ b/src/atom_vec_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ATOM_VEC_HYBRID_H -#define ATOM_VEC_HYBRID_H +#ifdef ATOM_CLASS + +AtomStyle(hybrid,AtomVecHybrid) + +#else + +#ifndef LMP_ATOM_VEC_HYBRID_H +#define LMP_ATOM_VEC_HYBRID_H #include "atom_vec.h" @@ -59,3 +65,4 @@ class AtomVecHybrid : public AtomVec { } #endif +#endif diff --git a/src/bond.h b/src/bond.h index e879c0e004..551d84b51f 100644 --- a/src/bond.h +++ b/src/bond.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_H -#define BOND_H +#ifndef LMP_BOND_H +#define LMP_BOND_H #include "stdio.h" #include "pointers.h" diff --git a/src/bond_hybrid.h b/src/bond_hybrid.h index bc10341335..acdee75063 100644 --- a/src/bond_hybrid.h +++ b/src/bond_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef BOND_HYBRID_H -#define BOND_HYBRID_H +#ifdef BOND_CLASS + +BondStyle(hybrid,BondHybrid) + +#else + +#ifndef LMP_BOND_HYBRID_H +#define LMP_BOND_HYBRID_H #include "stdio.h" #include "bond.h" @@ -51,3 +57,4 @@ class BondHybrid : public Bond { } #endif +#endif diff --git a/src/change_box.h b/src/change_box.h index 1dcc5d9634..eb0c7f4e88 100644 --- a/src/change_box.h +++ b/src/change_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CHANGE_BOX_H -#define CHANGE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(change_box,ChangeBox) + +#else + +#ifndef LMP_CHANGE_BOX_H +#define LMP_CHANGE_BOX_H #include "pointers.h" @@ -27,3 +33,4 @@ class ChangeBox : protected Pointers { } #endif +#endif diff --git a/src/comm.h b/src/comm.h index e51d14870f..5c9bad339d 100644 --- a/src/comm.h +++ b/src/comm.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMM_H -#define COMM_H +#ifndef LMP_COMM_H +#define LMP_COMM_H #include "pointers.h" diff --git a/src/compute.h b/src/compute.h index 6a4070ed2e..1c604e4060 100644 --- a/src/compute.h +++ b/src/compute.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_H -#define COMPUTE_H +#ifndef LMP_COMPUTE_H +#define LMP_COMPUTE_H #include "pointers.h" diff --git a/src/compute_angle_local.h b/src/compute_angle_local.h index bdeddb494d..0c3ece25da 100644 --- a/src/compute_angle_local.h +++ b/src/compute_angle_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_ANGLE_LOCAL_H -#define COMPUTE_ANGLE_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(angle/local,ComputeAngleLocal) + +#else + +#ifndef LMP_COMPUTE_ANGLE_LOCAL_H +#define LMP_COMPUTE_ANGLE_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeAngleLocal : public Compute { } #endif +#endif diff --git a/src/compute_bond_local.h b/src/compute_bond_local.h index 1fda30c48b..be2724f08a 100644 --- a/src/compute_bond_local.h +++ b/src/compute_bond_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_BOND_LOCAL_H -#define COMPUTE_BOND_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(bond/local,ComputeBondLocal) + +#else + +#ifndef LMP_COMPUTE_BOND_LOCAL_H +#define LMP_COMPUTE_BOND_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeBondLocal : public Compute { } #endif +#endif diff --git a/src/compute_centro_atom.h b/src/compute_centro_atom.h index d09b69714b..1828799bfa 100644 --- a/src/compute_centro_atom.h +++ b/src/compute_centro_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_CENTRO_ATOM_H -#define COMPUTE_CENTRO_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(centro/atom,ComputeCentroAtom) + +#else + +#ifndef LMP_COMPUTE_CENTRO_ATOM_H +#define LMP_COMPUTE_CENTRO_ATOM_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeCentroAtom : public Compute { } #endif +#endif diff --git a/src/compute_cna_atom.h b/src/compute_cna_atom.h index e0690b6f17..ceae403694 100644 --- a/src/compute_cna_atom.h +++ b/src/compute_cna_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_CNA_ATOM_H -#define COMPUTE_CNA_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(cna/atom,ComputeCNAAtom) + +#else + +#ifndef LMP_COMPUTE_CNA_ATOM_H +#define LMP_COMPUTE_CNA_ATOM_H #include "compute.h" @@ -39,3 +45,4 @@ class ComputeCNAAtom : public Compute { } #endif +#endif diff --git a/src/compute_com.h b/src/compute_com.h index d07254465c..476e599cf7 100644 --- a/src/compute_com.h +++ b/src/compute_com.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COM_H -#define COMPUTE_COM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(com,ComputeCOM) + +#else + +#ifndef LMP_COMPUTE_COM_H +#define LMP_COMPUTE_COM_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeCOM : public Compute { } #endif +#endif diff --git a/src/compute_com_molecule.h b/src/compute_com_molecule.h index 517f7a66cd..4e6220d603 100644 --- a/src/compute_com_molecule.h +++ b/src/compute_com_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COM_MOLECULE_H -#define COMPUTE_COM_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(com/molecule,ComputeCOMMolecule) + +#else + +#ifndef LMP_COMPUTE_COM_MOLECULE_H +#define LMP_COMPUTE_COM_MOLECULE_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeCOMMolecule : public Compute { } #endif +#endif diff --git a/src/compute_coord_atom.h b/src/compute_coord_atom.h index cd174f153a..82d89961dc 100644 --- a/src/compute_coord_atom.h +++ b/src/compute_coord_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_COORD_ATOM_H -#define COMPUTE_COORD_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(coord/atom,ComputeCoordAtom) + +#else + +#ifndef LMP_COMPUTE_COORD_ATOM_H +#define LMP_COMPUTE_COORD_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeCoordAtom : public Compute { } #endif +#endif diff --git a/src/compute_dihedral_local.h b/src/compute_dihedral_local.h index bda6f1a6f6..2683cc4776 100644 --- a/src/compute_dihedral_local.h +++ b/src/compute_dihedral_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DIHEDRAL_LOCAL_H -#define COMPUTE_DIHEDRAL_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(dihedral/local,ComputeDihedralLocal) + +#else + +#ifndef LMP_COMPUTE_DIHEDRAL_LOCAL_H +#define LMP_COMPUTE_DIHEDRAL_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeDihedralLocal : public Compute { } #endif +#endif diff --git a/src/compute_displace_atom.h b/src/compute_displace_atom.h index 9db79ac4ba..7f43047b13 100644 --- a/src/compute_displace_atom.h +++ b/src/compute_displace_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_DISPLACE_ATOM_H -#define COMPUTE_DISPLACE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(displace/atom,ComputeDisplaceAtom) + +#else + +#ifndef LMP_COMPUTE_DISPLACE_ATOM_H +#define LMP_COMPUTE_DISPLACE_ATOM_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeDisplaceAtom : public Compute { } #endif +#endif diff --git a/src/compute_erotate_sphere.h b/src/compute_erotate_sphere.h index 50cf324794..7c9d7dd4f0 100644 --- a/src/compute_erotate_sphere.h +++ b/src/compute_erotate_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_EROTATE_SPHERE_H -#define COMPUTE_EROTATE_SPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(erotate/sphere,ComputeERotateSphere) + +#else + +#ifndef LMP_COMPUTE_EROTATE_SPHERE_H +#define LMP_COMPUTE_EROTATE_SPHERE_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeERotateSphere : public Compute { } #endif +#endif diff --git a/src/compute_group_group.h b/src/compute_group_group.h index 65d47e5fe6..a3e76407e4 100644 --- a/src/compute_group_group.h +++ b/src/compute_group_group.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GROUP_GROUP_H -#define COMPUTE_GROUP_GROUP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(group/group,ComputeGroupGroup) + +#else + +#ifndef LMP_COMPUTE_GROUP_GROUP_H +#define LMP_COMPUTE_GROUP_GROUP_H #include "compute.h" @@ -40,3 +46,4 @@ class ComputeGroupGroup : public Compute { } #endif +#endif diff --git a/src/compute_gyration.h b/src/compute_gyration.h index 899b42b4a3..d24a889141 100644 --- a/src/compute_gyration.h +++ b/src/compute_gyration.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GYRATION_H -#define COMPUTE_GYRATION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(gyration,ComputeGyration) + +#else + +#ifndef LMP_COMPUTE_GYRATION_H +#define LMP_COMPUTE_GYRATION_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputeGyration : public Compute { } #endif +#endif diff --git a/src/compute_gyration_molecule.h b/src/compute_gyration_molecule.h index 965c849cf8..ae720048e4 100644 --- a/src/compute_gyration_molecule.h +++ b/src/compute_gyration_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_GYRATION_MOLECULE_H -#define COMPUTE_GYRATION_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(gyration/molecule,ComputeGyrationMolecule) + +#else + +#ifndef LMP_COMPUTE_GYRATION_MOLECULE_H +#define LMP_COMPUTE_GYRATION_MOLECULE_H #include "compute.h" @@ -38,3 +44,4 @@ class ComputeGyrationMolecule : public Compute { } #endif +#endif diff --git a/src/compute_heat_flux.h b/src/compute_heat_flux.h index 54aac14d79..f332c79afa 100644 --- a/src/compute_heat_flux.h +++ b/src/compute_heat_flux.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_HEATFLUX_H -#define COMPUTE_HEATFLUX_H +#ifdef COMPUTE_CLASS + +ComputeStyle(heat/flux,ComputeHeatFlux) + +#else + +#ifndef LMP_COMPUTE_HEAT_FLUX_H +#define LMP_COMPUTE_HEAT_FLUX_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeHeatFlux : public Compute { } #endif +#endif diff --git a/src/compute_improper_local.h b/src/compute_improper_local.h index 619f3a2eb2..fa97afc715 100644 --- a/src/compute_improper_local.h +++ b/src/compute_improper_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_IMPROPER_LOCAL_H -#define COMPUTE_IMPROPER_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(improper/local,ComputeImproperLocal) + +#else + +#ifndef LMP_COMPUTE_IMPROPER_LOCAL_H +#define LMP_COMPUTE_IMPROPER_LOCAL_H #include "compute.h" @@ -41,3 +47,4 @@ class ComputeImproperLocal : public Compute { } #endif +#endif diff --git a/src/compute_ke.h b/src/compute_ke.h index 48c706a823..188debb3c3 100644 --- a/src/compute_ke.h +++ b/src/compute_ke.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_KE_H -#define COMPUTE_KE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ke,ComputeKE) + +#else + +#ifndef LMP_COMPUTE_KE_H +#define LMP_COMPUTE_KE_H #include "compute.h" @@ -31,3 +37,4 @@ class ComputeKE : public Compute { } #endif +#endif diff --git a/src/compute_ke_atom.h b/src/compute_ke_atom.h index c7791ffdfb..7057dc33ec 100644 --- a/src/compute_ke_atom.h +++ b/src/compute_ke_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_KE_ATOM_H -#define COMPUTE_KE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(ke/atom,ComputeKEAtom) + +#else + +#ifndef LMP_COMPUTE_KE_ATOM_H +#define LMP_COMPUTE_KE_ATOM_H #include "compute.h" @@ -34,3 +40,4 @@ class ComputeKEAtom : public Compute { } #endif +#endif diff --git a/src/compute_msd.h b/src/compute_msd.h index 37829e4aa2..b93511abe5 100644 --- a/src/compute_msd.h +++ b/src/compute_msd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_MSD_H -#define COMPUTE_MSD_H +#ifdef COMPUTE_CLASS + +ComputeStyle(msd,ComputeMSD) + +#else + +#ifndef LMP_COMPUTE_MSD_H +#define LMP_COMPUTE_MSD_H #include "compute.h" @@ -35,3 +41,4 @@ class ComputeMSD : public Compute { } #endif +#endif diff --git a/src/compute_msd_molecule.h b/src/compute_msd_molecule.h index 8394deaa8a..a31e0e6141 100644 --- a/src/compute_msd_molecule.h +++ b/src/compute_msd_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_MSD_MOLECULE_H -#define COMPUTE_MSD_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(msd/molecule,ComputeMSDMolecule) + +#else + +#ifndef LMP_COMPUTE_MSD_MOLECULE_H +#define LMP_COMPUTE_MSD_MOLECULE_H #include "compute.h" @@ -39,3 +45,4 @@ class ComputeMSDMolecule : public Compute { } #endif +#endif diff --git a/src/compute_pair_local.h b/src/compute_pair_local.h index 3a385a1737..e6706c193f 100644 --- a/src/compute_pair_local.h +++ b/src/compute_pair_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PAIR_LOCAL_H -#define COMPUTE_PAIR_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pair/local,ComputePairLocal) + +#else + +#ifndef LMP_COMPUTE_PAIR_LOCAL_H +#define LMP_COMPUTE_PAIR_LOCAL_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputePairLocal : public Compute { } #endif +#endif diff --git a/src/compute_pe.h b/src/compute_pe.h index 8b2c7bb9e6..47162d084e 100644 --- a/src/compute_pe.h +++ b/src/compute_pe.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PE_H -#define COMPUTE_PE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pe,ComputePE) + +#else + +#ifndef LMP_COMPUTE_PE_H +#define LMP_COMPUTE_PE_H #include "compute.h" @@ -32,3 +38,4 @@ class ComputePE : public Compute { } #endif +#endif diff --git a/src/compute_pe_atom.h b/src/compute_pe_atom.h index 13065aaca6..c53eeaca82 100755 --- a/src/compute_pe_atom.h +++ b/src/compute_pe_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PE_ATOM_H -#define COMPUTE_PE_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pe/atom,ComputePEAtom) + +#else + +#ifndef LMP_COMPUTE_PE_ATOM_H +#define LMP_COMPUTE_PE_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputePEAtom : public Compute { } #endif +#endif diff --git a/src/compute_pressure.h b/src/compute_pressure.h index 54a04dc738..2e362ab222 100644 --- a/src/compute_pressure.h +++ b/src/compute_pressure.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PRESSURE_H -#define COMPUTE_PRESSURE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(pressure,ComputePressure) + +#else + +#ifndef LMP_COMPUTE_PRESSURE_H +#define LMP_COMPUTE_PRESSURE_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputePressure : public Compute { } #endif +#endif diff --git a/src/compute_property_atom.h b/src/compute_property_atom.h index 43a38bd891..0c93bdbe7a 100644 --- a/src/compute_property_atom.h +++ b/src/compute_property_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_ATOM_H -#define COMPUTE_PROPERTY_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/atom,ComputePropertyAtom) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_ATOM_H +#define LMP_COMPUTE_PROPERTY_ATOM_H #include "compute.h" @@ -89,3 +95,4 @@ class ComputePropertyAtom : public Compute { } #endif +#endif diff --git a/src/compute_property_local.h b/src/compute_property_local.h index 9bbe10477e..59935acfe1 100644 --- a/src/compute_property_local.h +++ b/src/compute_property_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_LOCAL_H -#define COMPUTE_PROPERTY_LOCAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/local,ComputePropertyLocal) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_LOCAL_H +#define LMP_COMPUTE_PROPERTY_LOCAL_H #include "compute.h" @@ -78,3 +84,4 @@ class ComputePropertyLocal : public Compute { } #endif +#endif diff --git a/src/compute_property_molecule.h b/src/compute_property_molecule.h index f564d61b30..ce0f0fcae3 100644 --- a/src/compute_property_molecule.h +++ b/src/compute_property_molecule.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_PROPERTY_MOLECULE_H -#define COMPUTE_PROPERTY_MOLECULE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(property/molecule,ComputePropertyMolecule) + +#else + +#ifndef LMP_COMPUTE_PROPERTY_MOLECULE_H +#define LMP_COMPUTE_PROPERTY_MOLECULE_H #include "compute.h" @@ -42,3 +48,4 @@ class ComputePropertyMolecule : public Compute { } #endif +#endif diff --git a/src/compute_rdf.h b/src/compute_rdf.h index 60218817a7..03f74621cb 100644 --- a/src/compute_rdf.h +++ b/src/compute_rdf.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_RDF_H -#define COMPUTE_RDF_H +#ifdef COMPUTE_CLASS + +ComputeStyle(rdf,ComputeRDF) + +#else + +#ifndef LMP_COMPUTE_RDF_H +#define LMP_COMPUTE_RDF_H #include "stdio.h" #include "compute.h" @@ -47,3 +53,4 @@ class ComputeRDF : public Compute { } #endif +#endif diff --git a/src/compute_reduce.h b/src/compute_reduce.h index f8a74c84fe..02f39748e6 100644 --- a/src/compute_reduce.h +++ b/src/compute_reduce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_REDUCE_H -#define COMPUTE_REDUCE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(reduce,ComputeReduce) + +#else + +#ifndef LMP_COMPUTE_REDUCE_H +#define LMP_COMPUTE_REDUCE_H #include "compute.h" @@ -53,3 +59,4 @@ class ComputeReduce : public Compute { } #endif +#endif diff --git a/src/compute_reduce_region.h b/src/compute_reduce_region.h index 4241d1d782..30718ce85b 100644 --- a/src/compute_reduce_region.h +++ b/src/compute_reduce_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_REDUCE_REGION_H -#define COMPUTE_REDUCE_REGION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(reduce/region,ComputeReduceRegion) + +#else + +#ifndef LMP_COMPUTE_REDUCE_REGION_H +#define LMP_COMPUTE_REDUCE_REGION_H #include "compute_reduce.h" @@ -31,3 +37,4 @@ class ComputeReduceRegion : public ComputeReduce { } #endif +#endif diff --git a/src/compute_stress_atom.h b/src/compute_stress_atom.h index 98b727bf80..f988a28037 100644 --- a/src/compute_stress_atom.h +++ b/src/compute_stress_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_STRESS_ATOM_H -#define COMPUTE_STRESS_ATOM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(stress/atom,ComputeStressAtom) + +#else + +#ifndef LMP_COMPUTE_STRESS_ATOM_H +#define LMP_COMPUTE_STRESS_ATOM_H #include "compute.h" @@ -37,3 +43,4 @@ class ComputeStressAtom : public Compute { } #endif +#endif diff --git a/src/compute_temp.h b/src/compute_temp.h index eeae8479f5..5bbe0ba7f4 100644 --- a/src/compute_temp.h +++ b/src/compute_temp.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_H -#define COMPUTE_TEMP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp,ComputeTemp) + +#else + +#ifndef LMP_COMPUTE_TEMP_H +#define LMP_COMPUTE_TEMP_H #include "compute.h" @@ -36,3 +42,4 @@ class ComputeTemp : public Compute { } #endif +#endif diff --git a/src/compute_temp_com.h b/src/compute_temp_com.h index 3c64875822..65ba19e72a 100644 --- a/src/compute_temp_com.h +++ b/src/compute_temp_com.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_COM_H -#define COMPUTE_TEMP_COM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/com,ComputeTempCOM) + +#else + +#ifndef LMP_COMPUTE_TEMP_COM_H +#define LMP_COMPUTE_TEMP_COM_H #include "compute.h" @@ -43,3 +49,4 @@ class ComputeTempCOM : public Compute { } #endif +#endif diff --git a/src/compute_temp_deform.h b/src/compute_temp_deform.h index df904dc94c..0b69b73c8f 100644 --- a/src/compute_temp_deform.h +++ b/src/compute_temp_deform.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_DEFORM_H -#define COMPUTE_TEMP_DEFORM_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/deform,ComputeTempDeform) + +#else + +#ifndef LMP_COMPUTE_TEMP_DEFORM_H +#define LMP_COMPUTE_TEMP_DEFORM_H #include "compute.h" @@ -45,3 +51,4 @@ class ComputeTempDeform : public Compute { } #endif +#endif diff --git a/src/compute_temp_partial.h b/src/compute_temp_partial.h index 9d414f2221..83bd6de752 100644 --- a/src/compute_temp_partial.h +++ b/src/compute_temp_partial.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_PARTIAL_H -#define COMPUTE_TEMP_PARTIAL_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/partial,ComputeTempPartial) + +#else + +#ifndef LMP_COMPUTE_TEMP_PARTIAL_H +#define LMP_COMPUTE_TEMP_PARTIAL_H #include "compute.h" @@ -44,3 +50,4 @@ class ComputeTempPartial : public Compute { } #endif +#endif diff --git a/src/compute_temp_profile.h b/src/compute_temp_profile.h index 9194e90c48..7b6fda0b46 100644 --- a/src/compute_temp_profile.h +++ b/src/compute_temp_profile.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_PROFILE_H -#define COMPUTE_TEMP_PROFILE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/profile,ComputeTempProfile) + +#else + +#ifndef LMP_COMPUTE_TEMP_PROFILE_H +#define LMP_COMPUTE_TEMP_PROFILE_H #include "compute.h" @@ -57,3 +63,4 @@ class ComputeTempProfile : public Compute { } #endif +#endif diff --git a/src/compute_temp_ramp.h b/src/compute_temp_ramp.h index ae1148836a..e343cdb6b6 100644 --- a/src/compute_temp_ramp.h +++ b/src/compute_temp_ramp.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_RAMP_H -#define COMPUTE_TEMP_RAMP_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/ramp,ComputeTempRamp) + +#else + +#ifndef LMP_COMPUTE_TEMP_RAMP_H +#define LMP_COMPUTE_TEMP_RAMP_H #include "compute.h" @@ -46,3 +52,4 @@ class ComputeTempRamp : public Compute { } #endif +#endif diff --git a/src/compute_temp_region.h b/src/compute_temp_region.h index 43ac880997..74b738db8e 100644 --- a/src/compute_temp_region.h +++ b/src/compute_temp_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_REGION_H -#define COMPUTE_TEMP_REGION_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/region,ComputeTempRegion) + +#else + +#ifndef LMP_COMPUTE_TEMP_REGION_H +#define LMP_COMPUTE_TEMP_REGION_H #include "compute.h" @@ -40,3 +46,4 @@ class ComputeTempRegion : public Compute { } #endif +#endif diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h index c294ddbf7f..86285061bd 100644 --- a/src/compute_temp_sphere.h +++ b/src/compute_temp_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef COMPUTE_TEMP_SPHERE_H -#define COMPUTE_TEMP_SPHERE_H +#ifdef COMPUTE_CLASS + +ComputeStyle(temp/sphere,ComputeTempSphere) + +#else + +#ifndef LMP_COMPUTE_TEMP_SPHERE_H +#define LMP_COMPUTE_TEMP_SPHERE_H #include "compute.h" @@ -42,3 +48,4 @@ class ComputeTempSphere : public Compute { } #endif +#endif diff --git a/src/create_atoms.h b/src/create_atoms.h index db40d1d19c..cbe19ef386 100644 --- a/src/create_atoms.h +++ b/src/create_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CREATE_ATOMS_H -#define CREATE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(create_atoms,CreateAtoms) + +#else + +#ifndef LMP_CREATE_ATOMS_H +#define LMP_CREATE_ATOMS_H #include "pointers.h" @@ -35,3 +41,4 @@ class CreateAtoms : protected Pointers { } #endif +#endif diff --git a/src/create_box.h b/src/create_box.h index 3c4f85ffbb..fdf12d4c2e 100644 --- a/src/create_box.h +++ b/src/create_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef CREATE_BOX_H -#define CREATE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(create_box,CreateBox) + +#else + +#ifndef LMP_CREATE_BOX_H +#define LMP_CREATE_BOX_H #include "pointers.h" @@ -27,3 +33,4 @@ class CreateBox : protected Pointers { } #endif +#endif diff --git a/src/delete_atoms.h b/src/delete_atoms.h index 2ccaca35f9..3ff8f75697 100644 --- a/src/delete_atoms.h +++ b/src/delete_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DELETE_ATOMS_H -#define DELETE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(delete_atoms,DeleteAtoms) + +#else + +#ifndef LMP_DELETE_ATOMS_H +#define LMP_DELETE_ATOMS_H #include "pointers.h" @@ -35,3 +41,4 @@ class DeleteAtoms : protected Pointers { } #endif +#endif diff --git a/src/delete_bonds.h b/src/delete_bonds.h index 2f9e5ba391..925d69b161 100644 --- a/src/delete_bonds.h +++ b/src/delete_bonds.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DELETE_BONDS_H -#define DELETE_BONDS_H +#ifdef COMMAND_CLASS + +CommandStyle(delete_bonds,DeleteBonds) + +#else + +#ifndef LMP_DELETE_BONDS_H +#define LMP_DELETE_BONDS_H #include "pointers.h" @@ -27,3 +33,4 @@ class DeleteBonds : protected Pointers { } #endif +#endif diff --git a/src/dihedral.h b/src/dihedral.h index c852c6d9cd..15866a8bba 100644 --- a/src/dihedral.h +++ b/src/dihedral.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DIHEDRAL_H -#define DIHEDRAL_H +#ifndef LMP_DIHEDRAL_H +#define LMP_DIHEDRAL_H #include "stdio.h" #include "pointers.h" diff --git a/src/displace_atoms.h b/src/displace_atoms.h index 6ddf79c428..7a3f2bc6b1 100644 --- a/src/displace_atoms.h +++ b/src/displace_atoms.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DISPLACE_ATOMS_H -#define DISPLACE_ATOMS_H +#ifdef COMMAND_CLASS + +CommandStyle(displace_atoms,DisplaceAtoms) + +#else + +#ifndef LMP_DISPLACE_ATOMS_H +#define LMP_DISPLACE_ATOMS_H #include "pointers.h" @@ -31,3 +37,4 @@ class DisplaceAtoms : protected Pointers { } #endif +#endif diff --git a/src/displace_box.h b/src/displace_box.h index 1c74851488..a229d32a86 100644 --- a/src/displace_box.h +++ b/src/displace_box.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DISPLACE_BOX_H -#define DISPLACE_BOX_H +#ifdef COMMAND_CLASS + +CommandStyle(displace_box,DisplaceBox) + +#else + +#ifndef LMP_DISPLACE_BOX_H +#define LMP_DISPLACE_BOX_H #include "pointers.h" @@ -45,3 +51,4 @@ class DisplaceBox : protected Pointers { } #endif +#endif diff --git a/src/domain.cpp b/src/domain.cpp index 660c53eace..cac94415d1 100644 --- a/src/domain.cpp +++ b/src/domain.cpp @@ -21,6 +21,7 @@ #include "stdio.h" #include "math.h" #include "domain.h" +#include "style_region.h" #include "atom.h" #include "force.h" #include "update.h" @@ -33,10 +34,6 @@ #include "memory.h" #include "error.h" -#define RegionInclude -#include "style.h" -#undef RegionInclude - using namespace LAMMPS_NS; #define BIG 1.0e20 @@ -887,12 +884,12 @@ void Domain::add_region(int narg, char **arg) if (strcmp(arg[1],"none") == 0) error->all("Invalid region style"); -#define RegionClass +#define REGION_CLASS #define RegionStyle(key,Class) \ else if (strcmp(arg[1],#key) == 0) \ regions[nregion] = new Class(lmp,narg,arg); -#include "style.h" -#undef RegionClass +#include "style_region.h" +#undef REGION_CLASS else error->all("Invalid region style"); diff --git a/src/domain.h b/src/domain.h index fff4f37837..5a2b8eae8b 100644 --- a/src/domain.h +++ b/src/domain.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DOMAIN_H -#define DOMAIN_H +#ifndef LMP_DOMAIN_H +#define LMP_DOMAIN_H #include "pointers.h" diff --git a/src/dump.h b/src/dump.h index a997260ba0..fec33b4d00 100644 --- a/src/dump.h +++ b/src/dump.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_H -#define DUMP_H +#ifndef LMP_DUMP_H +#define LMP_DUMP_H #include "stdio.h" #include "pointers.h" diff --git a/src/dump_atom.h b/src/dump_atom.h index 56b6188e94..3120fca844 100644 --- a/src/dump_atom.h +++ b/src/dump_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_ATOM_H -#define DUMP_ATOM_H +#ifdef DUMP_CLASS + +DumpStyle(atom,DumpAtom) + +#else + +#ifndef LMP_DUMP_ATOM_H +#define LMP_DUMP_ATOM_H #include "dump.h" @@ -61,3 +67,4 @@ class DumpAtom : public Dump { } #endif +#endif diff --git a/src/dump_cfg.h b/src/dump_cfg.h index e30d17a352..e2d016a3a2 100755 --- a/src/dump_cfg.h +++ b/src/dump_cfg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_CFG_H -#define DUMP_CFG_H +#ifdef DUMP_CLASS + +DumpStyle(cfg,DumpCFG) + +#else + +#ifndef LMP_DUMP_CFG_H +#define LMP_DUMP_CFG_H #include "dump_custom.h" @@ -45,3 +51,4 @@ class DumpCFG : public DumpCustom { } #endif +#endif diff --git a/src/dump_custom.h b/src/dump_custom.h index 7532d96025..505fa43ac9 100644 --- a/src/dump_custom.h +++ b/src/dump_custom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_CUSTOM_H -#define DUMP_CUSTOM_H +#ifdef DUMP_CLASS + +DumpStyle(custom,DumpCustom) + +#else + +#ifndef LMP_DUMP_CUSTOM_H +#define LMP_DUMP_CUSTOM_H #include "dump.h" @@ -150,3 +156,4 @@ class DumpCustom : public Dump { } #endif +#endif diff --git a/src/dump_dcd.h b/src/dump_dcd.h index 1e1411467f..dc73483623 100644 --- a/src/dump_dcd.h +++ b/src/dump_dcd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_DCD_H -#define DUMP_DCD_H +#ifdef DUMP_CLASS + +DumpStyle(dcd,DumpDCD) + +#else + +#ifndef LMP_DUMP_DCD_H +#define LMP_DUMP_DCD_H #include "stdio.h" #include "dump.h" @@ -46,3 +52,4 @@ class DumpDCD : public Dump { } #endif +#endif diff --git a/src/dump_local.h b/src/dump_local.h index 5239abc922..43f2201766 100644 --- a/src/dump_local.h +++ b/src/dump_local.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_LOCAL_H -#define DUMP_LOCAL_H +#ifdef DUMP_CLASS + +DumpStyle(local,DumpLocal) + +#else + +#ifndef LMP_DUMP_LOCAL_H +#define LMP_DUMP_LOCAL_H #include "dump.h" @@ -71,3 +77,4 @@ class DumpLocal : public Dump { } #endif +#endif diff --git a/src/dump_xyz.h b/src/dump_xyz.h index a17e89107c..dbf4ff96ba 100644 --- a/src/dump_xyz.h +++ b/src/dump_xyz.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef DUMP_XYZ_H -#define DUMP_XYZ_H +#ifdef DUMP_CLASS + +DumpStyle(xyz,DumpXYZ) + +#else + +#ifndef LMP_DUMP_XYZ_H +#define LMP_DUMP_XYZ_H #include "dump.h" @@ -40,3 +46,4 @@ class DumpXYZ : public Dump { } #endif +#endif diff --git a/src/error.h b/src/error.h index b6c1d53f80..6b279cbf9a 100644 --- a/src/error.h +++ b/src/error.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef ERROR_H -#define ERROR_H +#ifndef LMP_ERROR_H +#define LMP_ERROR_H #include "pointers.h" diff --git a/src/finish.h b/src/finish.h index b0e815f412..c2f7e8a191 100644 --- a/src/finish.h +++ b/src/finish.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FINISH_H -#define FINISH_H +#ifndef LMP_FINISH_H +#define LMP_FINISH_H #include "pointers.h" diff --git a/src/fix.h b/src/fix.h index 9379d87d40..a7b909475b 100644 --- a/src/fix.h +++ b/src/fix.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_H -#define FIX_H +#ifndef LMP_FIX_H +#define LMP_FIX_H #include "pointers.h" diff --git a/src/fix_addforce.h b/src/fix_addforce.h index 163dce634b..3802a29cb3 100644 --- a/src/fix_addforce.h +++ b/src/fix_addforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ADDFORCE_H -#define FIX_ADDFORCE_H +#ifdef FIX_CLASS + +FixStyle(addforce,FixAddForce) + +#else + +#ifndef LMP_FIX_ADDFORCE_H +#define LMP_FIX_ADDFORCE_H #include "fix.h" @@ -42,3 +48,4 @@ class FixAddForce : public Fix { } #endif +#endif diff --git a/src/fix_ave_atom.h b/src/fix_ave_atom.h index 181a85bb03..8c5de51814 100644 --- a/src/fix_ave_atom.h +++ b/src/fix_ave_atom.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_ATOM_H -#define FIX_AVE_ATOM_H +#ifdef FIX_CLASS + +FixStyle(ave/atom,FixAveAtom) + +#else + +#ifndef LMP_FIX_AVE_ATOM_H +#define LMP_FIX_AVE_ATOM_H #include "stdio.h" #include "fix.h" @@ -46,3 +52,4 @@ class FixAveAtom : public Fix { } #endif +#endif diff --git a/src/fix_ave_histo.h b/src/fix_ave_histo.h index 05fb795bc5..4413718716 100644 --- a/src/fix_ave_histo.h +++ b/src/fix_ave_histo.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_HISTO_H -#define FIX_AVE_HISTO_H +#ifdef FIX_CLASS + +FixStyle(ave/histo,FixAveHisto) + +#else + +#ifndef LMP_FIX_AVE_HISTO_H +#define LMP_FIX_AVE_HISTO_H #include "stdio.h" #include "fix.h" @@ -63,3 +69,4 @@ class FixAveHisto : public Fix { } #endif +#endif diff --git a/src/fix_ave_spatial.h b/src/fix_ave_spatial.h index cc11d55d40..ce873260c8 100644 --- a/src/fix_ave_spatial.h +++ b/src/fix_ave_spatial.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_SPATIAL_H -#define FIX_AVE_SPATIAL_H +#ifdef FIX_CLASS + +FixStyle(ave/spatial,FixAveSpatial) + +#else + +#ifndef LMP_FIX_AVE_SPATIAL_H +#define LMP_FIX_AVE_SPATIAL_H #include "stdio.h" #include "fix.h" @@ -65,3 +71,4 @@ class FixAveSpatial : public Fix { } #endif +#endif diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h index 58911f198c..36cc241a19 100644 --- a/src/fix_ave_time.h +++ b/src/fix_ave_time.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVE_TIME_H -#define FIX_AVE_TIME_H +#ifdef FIX_CLASS + +FixStyle(ave/time,FixAveTime) + +#else + +#ifndef LMP_FIX_AVE_TIME_H +#define LMP_FIX_AVE_TIME_H #include "stdio.h" #include "fix.h" @@ -60,3 +66,4 @@ class FixAveTime : public Fix { } #endif +#endif diff --git a/src/fix_aveforce.h b/src/fix_aveforce.h index dd88c4ed54..e5cba1c0c8 100644 --- a/src/fix_aveforce.h +++ b/src/fix_aveforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_AVEFORCE_H -#define FIX_AVEFORCE_H +#ifdef FIX_CLASS + +FixStyle(aveforce,FixAveForce) + +#else + +#ifndef LMP_FIX_AVEFORCE_H +#define LMP_FIX_AVEFORCE_H #include "fix.h" @@ -40,3 +46,4 @@ class FixAveForce : public Fix { } #endif +#endif diff --git a/src/fix_box_relax.h b/src/fix_box_relax.h index 591da55af0..5ca43c7f1b 100644 --- a/src/fix_box_relax.h +++ b/src/fix_box_relax.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_BOX_RELAX_H -#define FIX_BOX_RELAX_H +#ifdef FIX_CLASS + +FixStyle(box/relax,FixBoxRelax) + +#else + +#ifndef LMP_FIX_BOX_RELAX_H +#define LMP_FIX_BOX_RELAX_H #include "fix.h" @@ -67,3 +73,4 @@ class FixBoxRelax : public Fix { } #endif +#endif diff --git a/src/fix_deform.h b/src/fix_deform.h index b8e2bea4c4..90eb880f50 100644 --- a/src/fix_deform.h +++ b/src/fix_deform.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DEFORM_H -#define FIX_DEFORM_H +#ifdef FIX_CLASS + +FixStyle(deform,FixDeform) + +#else + +#ifndef LMP_FIX_DEFORM_H +#define LMP_FIX_DEFORM_H #include "fix.h" @@ -60,3 +66,4 @@ class FixDeform : public Fix { } #endif +#endif diff --git a/src/fix_deposit.h b/src/fix_deposit.h index 211469c903..da8eb14f75 100644 --- a/src/fix_deposit.h +++ b/src/fix_deposit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DEPOSIT_H -#define FIX_DEPOSIT_H +#ifdef FIX_CLASS + +FixStyle(deposit,FixDeposit) + +#else + +#ifndef LMP_FIX_DEPOSIT_H +#define LMP_FIX_DEPOSIT_H #include "fix.h" @@ -42,3 +48,4 @@ class FixDeposit : public Fix { } #endif +#endif diff --git a/src/fix_drag.h b/src/fix_drag.h index 6db9ba1114..0e0e07a06f 100644 --- a/src/fix_drag.h +++ b/src/fix_drag.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DRAG_H -#define FIX_DRAG_H +#ifdef FIX_CLASS + +FixStyle(drag,FixDrag) + +#else + +#ifndef LMP_FIX_DRAG_H +#define LMP_FIX_DRAG_H #include "fix.h" @@ -41,3 +47,4 @@ class FixDrag : public Fix { } #endif +#endif diff --git a/src/fix_dt_reset.h b/src/fix_dt_reset.h index 7fa8ff87aa..7105dc442b 100644 --- a/src/fix_dt_reset.h +++ b/src/fix_dt_reset.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_DT_RESET_H -#define FIX_DT_RESET_H +#ifdef FIX_CLASS + +FixStyle(dt/reset,FixDtReset) + +#else + +#ifndef LMP_FIX_DT_RESET_H +#define LMP_FIX_DT_RESET_H #include "fix.h" @@ -40,3 +46,4 @@ class FixDtReset : public Fix { } #endif +#endif diff --git a/src/fix_efield.h b/src/fix_efield.h index 3d42822a04..fdd3dec7df 100644 --- a/src/fix_efield.h +++ b/src/fix_efield.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EFIELD_H -#define FIX_EFIELD_H +#ifdef FIX_CLASS + +FixStyle(efield,FixEfield) + +#else + +#ifndef LMP_FIX_EFIELD_H +#define LMP_FIX_EFIELD_H #include "fix.h" @@ -35,3 +41,4 @@ class FixEfield : public Fix { } #endif +#endif diff --git a/src/fix_enforce2d.h b/src/fix_enforce2d.h index f8f2a415c8..cbe9bb303e 100644 --- a/src/fix_enforce2d.h +++ b/src/fix_enforce2d.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ENFORCE2D_H -#define FIX_ENFORCE2D_H +#ifdef FIX_CLASS + +FixStyle(enforce2d,FixEnforce2D) + +#else + +#ifndef LMP_FIX_ENFORCE2D_H +#define LMP_FIX_ENFORCE2D_H #include "fix.h" @@ -33,3 +39,4 @@ class FixEnforce2D : public Fix { } #endif +#endif diff --git a/src/fix_evaporate.h b/src/fix_evaporate.h index 8f788eb4fc..b5272d124b 100644 --- a/src/fix_evaporate.h +++ b/src/fix_evaporate.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_EVAPORATE_H -#define FIX_EVAPORATE_H +#ifdef FIX_CLASS + +FixStyle(evaporate,FixEvaporate) + +#else + +#ifndef LMP_FIX_EVAPORATE_H +#define LMP_FIX_EVAPORATE_H #include "fix.h" @@ -41,3 +47,4 @@ class FixEvaporate : public Fix { } #endif +#endif diff --git a/src/fix_gravity.h b/src/fix_gravity.h index f10c5e0e4f..248a9ffa18 100644 --- a/src/fix_gravity.h +++ b/src/fix_gravity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_GRAVITY_H -#define FIX_GRAVITY_H +#ifdef FIX_CLASS + +FixStyle(gravity,FixGravity) + +#else + +#ifndef LMP_FIX_GRAVITY_H +#define LMP_FIX_GRAVITY_H #include "fix.h" @@ -43,3 +49,4 @@ class FixGravity : public Fix { } #endif +#endif diff --git a/src/fix_heat.h b/src/fix_heat.h index fc47c21b4f..971cbf67eb 100644 --- a/src/fix_heat.h +++ b/src/fix_heat.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_HEAT_H -#define FIX_HEAT_H +#ifdef FIX_CLASS + +FixStyle(heat,FixHeat) + +#else + +#ifndef LMP_FIX_HEAT_H +#define LMP_FIX_HEAT_H #include "fix.h" @@ -35,3 +41,4 @@ class FixHeat : public Fix { } #endif +#endif diff --git a/src/fix_indent.h b/src/fix_indent.h index f4579e1ea2..937c8679b2 100644 --- a/src/fix_indent.h +++ b/src/fix_indent.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_INDENT_H -#define FIX_INDENT_H +#ifdef FIX_CLASS + +FixStyle(indent,FixIndent) + +#else + +#ifndef LMP_FIX_INDENT_H +#define LMP_FIX_INDENT_H #include "fix.h" @@ -48,3 +54,4 @@ class FixIndent : public Fix { } #endif +#endif diff --git a/src/fix_langevin.h b/src/fix_langevin.h index 6f076d9dd9..3aa1724606 100644 --- a/src/fix_langevin.h +++ b/src/fix_langevin.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_LANGEVIN_H -#define FIX_LANGEVIN_H +#ifdef FIX_CLASS + +FixStyle(langevin,FixLangevin) + +#else + +#ifndef LMP_FIX_LANGEVIN_H +#define LMP_FIX_LANGEVIN_H #include "fix.h" @@ -56,3 +62,4 @@ class FixLangevin : public Fix { } #endif +#endif diff --git a/src/fix_lineforce.h b/src/fix_lineforce.h index 294cb793b8..5ad94a01ad 100644 --- a/src/fix_lineforce.h +++ b/src/fix_lineforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_LINEFORCE_H -#define FIX_LINEFORCE_H +#ifdef FIX_CLASS + +FixStyle(lineforce,FixLineForce) + +#else + +#ifndef LMP_FIX_LINEFORCE_H +#define LMP_FIX_LINEFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixLineForce : public Fix { } #endif +#endif diff --git a/src/fix_minimize.h b/src/fix_minimize.h index 1b15aad2bb..80f2854dd7 100644 --- a/src/fix_minimize.h +++ b/src/fix_minimize.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MINIMIZE_H -#define FIX_MINIMIZE_H +#ifdef FIX_CLASS + +FixStyle(MINIMIZE,FixMinimize) + +#else + +#ifndef LMP_FIX_MINIMIZE_H +#define LMP_FIX_MINIMIZE_H #include "fix.h" @@ -50,3 +56,4 @@ class FixMinimize : public Fix { } #endif +#endif diff --git a/src/fix_momentum.h b/src/fix_momentum.h index e3b0387337..0173349c99 100644 --- a/src/fix_momentum.h +++ b/src/fix_momentum.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MOMENTUM_H -#define FIX_MOMENTUM_H +#ifdef FIX_CLASS + +FixStyle(momentum,FixMomentum) + +#else + +#ifndef LMP_FIX_MOMENTUM_H +#define LMP_FIX_MOMENTUM_H #include "fix.h" @@ -34,3 +40,4 @@ class FixMomentum : public Fix { } #endif +#endif diff --git a/src/fix_move.h b/src/fix_move.h index 41285f67b7..9d87916c19 100644 --- a/src/fix_move.h +++ b/src/fix_move.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_MOVE_H -#define FIX_MOVE_H +#ifdef FIX_CLASS + +FixStyle(move,FixMove) + +#else + +#ifndef LMP_FIX_MOVE_H +#define LMP_FIX_MOVE_H #include "fix.h" @@ -61,3 +67,4 @@ class FixMove : public Fix { } #endif +#endif diff --git a/src/fix_nph.h b/src/fix_nph.h index 8560a6444e..78dbe04390 100644 --- a/src/fix_nph.h +++ b/src/fix_nph.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPH_H -#define FIX_NPH_H +#ifdef FIX_CLASS + +FixStyle(nph,FixNPH) + +#else + +#ifndef LMP_FIX_NPH_H +#define LMP_FIX_NPH_H #include "fix.h" @@ -66,3 +72,4 @@ class FixNPH : public Fix { } #endif +#endif diff --git a/src/fix_npt.h b/src/fix_npt.h index 181c3ed3f9..6b0273fbf2 100644 --- a/src/fix_npt.h +++ b/src/fix_npt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPT_H -#define FIX_NPT_H +#ifdef FIX_CLASS + +FixStyle(npt,FixNPT) + +#else + +#ifndef LMP_FIX_NPT_H +#define LMP_FIX_NPT_H #include "fix.h" @@ -72,3 +78,4 @@ class FixNPT : public Fix { } #endif +#endif diff --git a/src/fix_npt_sphere.h b/src/fix_npt_sphere.h index e02a45e821..383bd970d0 100644 --- a/src/fix_npt_sphere.h +++ b/src/fix_npt_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NPT_SPHERE_H -#define FIX_NPT_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(npt/sphere,FixNPTSphere) + +#else + +#ifndef LMP_FIX_NPT_SPHERE_H +#define LMP_FIX_NPT_SPHERE_H #include "fix_npt.h" @@ -33,3 +39,4 @@ class FixNPTSphere : public FixNPT { } #endif +#endif diff --git a/src/fix_nve.h b/src/fix_nve.h index 35e7b02f69..6f8633733f 100644 --- a/src/fix_nve.h +++ b/src/fix_nve.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_H -#define FIX_NVE_H +#ifdef FIX_CLASS + +FixStyle(nve,FixNVE) + +#else + +#ifndef LMP_FIX_NVE_H +#define LMP_FIX_NVE_H #include "fix.h" @@ -38,3 +44,4 @@ class FixNVE : public Fix { } #endif +#endif diff --git a/src/fix_nve_limit.h b/src/fix_nve_limit.h index 312300a76e..3b5613fd5d 100644 --- a/src/fix_nve_limit.h +++ b/src/fix_nve_limit.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_LIMIT_H -#define FIX_NVE_LIMIT_H +#ifdef FIX_CLASS + +FixStyle(nve/limit,FixNVELimit) + +#else + +#ifndef LMP_FIX_NVE_LIMIT_H +#define LMP_FIX_NVE_LIMIT_H #include "fix.h" @@ -40,3 +46,4 @@ class FixNVELimit : public Fix { } #endif +#endif diff --git a/src/fix_nve_noforce.h b/src/fix_nve_noforce.h index 3bbb0326be..d56ecd96a1 100644 --- a/src/fix_nve_noforce.h +++ b/src/fix_nve_noforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_NOFORCE_H -#define FIX_NVE_NOFORCE_H +#ifdef FIX_CLASS + +FixStyle(nve/noforce,FixNVENoforce) + +#else + +#ifndef LMP_FIX_NVE_NOFORCE_H +#define LMP_FIX_NVE_NOFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixNVENoforce : public Fix { } #endif +#endif diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h index a97bb9d7b6..1582edc0e1 100644 --- a/src/fix_nve_sphere.h +++ b/src/fix_nve_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVE_SPHERE_H -#define FIX_NVE_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(nve/sphere,FixNVESphere) + +#else + +#ifndef LMP_FIX_NVE_SPHERE_H +#define LMP_FIX_NVE_SPHERE_H #include "fix_nve.h" @@ -34,3 +40,4 @@ class FixNVESphere : public FixNVE { } #endif +#endif diff --git a/src/fix_nvt.h b/src/fix_nvt.h index 079da19cc6..95c43126c5 100644 --- a/src/fix_nvt.h +++ b/src/fix_nvt.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_H -#define FIX_NVT_H +#ifdef FIX_CLASS + +FixStyle(nvt,FixNVT) + +#else + +#ifndef LMP_FIX_NVT_H +#define LMP_FIX_NVT_H #include "fix.h" @@ -55,3 +61,4 @@ class FixNVT : public Fix { } #endif +#endif diff --git a/src/fix_nvt_sllod.h b/src/fix_nvt_sllod.h index ba47f77056..2f1813cc07 100644 --- a/src/fix_nvt_sllod.h +++ b/src/fix_nvt_sllod.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_SLODD_H -#define FIX_NVT_SLODD_H +#ifdef FIX_CLASS + +FixStyle(nvt/sllod,FixNVTSlodd) + +#else + +#ifndef LMP_FIX_NVT_SLODD_H +#define LMP_FIX_NVT_SLODD_H #include "fix_nvt.h" @@ -33,3 +39,4 @@ class FixNVTSlodd : public FixNVT { } #endif +#endif diff --git a/src/fix_nvt_sphere.h b/src/fix_nvt_sphere.h index c6b7a774fa..67c397641f 100644 --- a/src/fix_nvt_sphere.h +++ b/src/fix_nvt_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_NVT_SPHERE_H -#define FIX_NVT_SPHERE_H +#ifdef FIX_CLASS + +FixStyle(nvt/sphere,FixNVTSphere) + +#else + +#ifndef LMP_FIX_NVT_SPHERE_H +#define LMP_FIX_NVT_SPHERE_H #include "fix_nvt.h" @@ -30,3 +36,4 @@ class FixNVTSphere : public FixNVT { } #endif +#endif diff --git a/src/fix_orient_fcc.h b/src/fix_orient_fcc.h index 2cf39634a9..42f8489926 100644 --- a/src/fix_orient_fcc.h +++ b/src/fix_orient_fcc.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_ORIENT_FCC_H -#define FIX_ORIENT_FCC_H +#ifdef FIX_CLASS + +FixStyle(orient/fcc,FixOrientFCC) + +#else + +#ifndef LMP_FIX_ORIENT_FCC_H +#define LMP_FIX_ORIENT_FCC_H #include "fix.h" @@ -79,3 +85,4 @@ class FixOrientFCC : public Fix { } #endif +#endif diff --git a/src/fix_planeforce.h b/src/fix_planeforce.h index 20ceec17a1..1fc1f306f1 100644 --- a/src/fix_planeforce.h +++ b/src/fix_planeforce.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PLANEFORCE_H -#define FIX_PLANEFORCE_H +#ifdef FIX_CLASS + +FixStyle(planeforce,FixPlaneForce) + +#else + +#ifndef LMP_FIX_PLANEFORCE_H +#define LMP_FIX_PLANEFORCE_H #include "fix.h" @@ -35,3 +41,4 @@ class FixPlaneForce : public Fix { } #endif +#endif diff --git a/src/fix_press_berendsen.h b/src/fix_press_berendsen.h index e772786ab0..e30c04b713 100644 --- a/src/fix_press_berendsen.h +++ b/src/fix_press_berendsen.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PRESS_BERENDSEN_H -#define FIX_PRESS_BERENDSEN_H +#ifdef FIX_CLASS + +FixStyle(press/berendsen,FixPressBerendsen) + +#else + +#ifndef LMP_FIX_PRESS_BERENDSEN_H +#define LMP_FIX_PRESS_BERENDSEN_H #include "fix.h" @@ -53,3 +59,4 @@ class FixPressBerendsen : public Fix { } #endif +#endif diff --git a/src/fix_print.h b/src/fix_print.h index 6e6597d43f..52b4f59a89 100644 --- a/src/fix_print.h +++ b/src/fix_print.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_PRINT_H -#define FIX_PRINT_H +#ifdef FIX_CLASS + +FixStyle(print,FixPrint) + +#else + +#ifndef LMP_FIX_PRINT_H +#define LMP_FIX_PRINT_H #include "stdio.h" #include "fix.h" @@ -35,3 +41,4 @@ class FixPrint : public Fix { } #endif +#endif diff --git a/src/fix_recenter.h b/src/fix_recenter.h index 38641bf90a..6e565bf9c9 100644 --- a/src/fix_recenter.h +++ b/src/fix_recenter.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RECENTER_H -#define FIX_RECENTER_H +#ifdef FIX_CLASS + +FixStyle(recenter,FixRecenter) + +#else + +#ifndef LMP_FIX_RECENTER_H +#define LMP_FIX_RECENTER_H #include "fix.h" @@ -35,3 +41,4 @@ class FixRecenter : public Fix { } #endif +#endif diff --git a/src/fix_respa.h b/src/fix_respa.h index 4ac4c766e4..bdfd7f73cd 100644 --- a/src/fix_respa.h +++ b/src/fix_respa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RESPA_H -#define FIX_RESPA_H +#ifdef FIX_CLASS + +FixStyle(RESPA,FixRespa) + +#else + +#ifndef LMP_FIX_RESPA_H +#define LMP_FIX_RESPA_H #include "fix.h" @@ -42,3 +48,4 @@ class FixRespa : public Fix { } #endif +#endif diff --git a/src/fix_rigid.h b/src/fix_rigid.h index 209b5df018..ce9e0ed071 100644 --- a/src/fix_rigid.h +++ b/src/fix_rigid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_RIGID_H -#define FIX_RIGID_H +#ifdef FIX_CLASS + +FixStyle(rigid,FixRigid) + +#else + +#ifndef LMP_FIX_RIGID_H +#define LMP_FIX_RIGID_H #include "fix.h" @@ -106,3 +112,4 @@ class FixRigid : public Fix { } #endif +#endif diff --git a/src/fix_set_force.h b/src/fix_set_force.h index 5f0f6d88b7..92c60e0d53 100644 --- a/src/fix_set_force.h +++ b/src/fix_set_force.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SET_FORCE_H -#define FIX_SET_FORCE_H +#ifdef FIX_CLASS + +FixStyle(setforce,FixSetForce) + +#else + +#ifndef LMP_FIX_SET_FORCE_H +#define LMP_FIX_SET_FORCE_H #include "fix.h" @@ -41,3 +47,4 @@ class FixSetForce : public Fix { } #endif +#endif diff --git a/src/fix_shake.h b/src/fix_shake.h index 63090b9c61..8653cdd5cf 100644 --- a/src/fix_shake.h +++ b/src/fix_shake.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SHAKE_H -#define FIX_SHAKE_H +#ifdef FIX_CLASS + +FixStyle(shake,FixShake) + +#else + +#ifndef LMP_FIX_SHAKE_H +#define LMP_FIX_SHAKE_H #include "fix.h" @@ -108,3 +114,4 @@ class FixShake : public Fix { } #endif +#endif diff --git a/src/fix_shear_history.h b/src/fix_shear_history.h index 0bf07e259f..b6dffa0a4d 100644 --- a/src/fix_shear_history.h +++ b/src/fix_shear_history.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SHEAR_HISTORY_H -#define FIX_SHEAR_HISTORY_H +#ifdef FIX_CLASS + +FixStyle(SHEAR_HISTORY,FixShearHistory) + +#else + +#ifndef LMP_FIX_SHEAR_HISTORY_H +#define LMP_FIX_SHEAR_HISTORY_H #include "fix.h" @@ -52,3 +58,4 @@ class FixShearHistory : public Fix { } #endif +#endif diff --git a/src/fix_spring.h b/src/fix_spring.h index a5b1f92c23..904829536b 100644 --- a/src/fix_spring.h +++ b/src/fix_spring.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_H -#define FIX_SPRING_H +#ifdef FIX_CLASS + +FixStyle(spring,FixSpring) + +#else + +#ifndef LMP_FIX_SPRING_H +#define LMP_FIX_SPRING_H #include "fix.h" @@ -51,3 +57,4 @@ class FixSpring : public Fix { } #endif +#endif diff --git a/src/fix_spring_rg.h b/src/fix_spring_rg.h index a922a41500..ec7b609162 100644 --- a/src/fix_spring_rg.h +++ b/src/fix_spring_rg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_RG_H -#define FIX_SPRING_RG_H +#ifdef FIX_CLASS + +FixStyle(spring/rg,FixSpringRG) + +#else + +#ifndef LMP_FIX_SPRING_RG_H +#define LMP_FIX_SPRING_RG_H #include "fix.h" @@ -35,3 +41,4 @@ class FixSpringRG : public Fix { } #endif +#endif diff --git a/src/fix_spring_self.h b/src/fix_spring_self.h index 64dd01cf56..87cb35b873 100644 --- a/src/fix_spring_self.h +++ b/src/fix_spring_self.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_SPRING_SELF_H -#define FIX_SPRING_SELF_H +#ifdef FIX_CLASS + +FixStyle(spring/self,FixSpringSelf) + +#else + +#ifndef LMP_FIX_SPRING_SELF_H +#define LMP_FIX_SPRING_SELF_H #include "fix.h" @@ -50,3 +56,4 @@ class FixSpringSelf : public Fix { } #endif +#endif diff --git a/src/fix_store_coord.h b/src/fix_store_coord.h index 65e80119d4..536bade429 100644 --- a/src/fix_store_coord.h +++ b/src/fix_store_coord.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_STORE_COORD_H -#define FIX_STORE_COORD_H +#ifdef FIX_CLASS + +FixStyle(store/coord,FixStoreCoord) + +#else + +#ifndef LMP_FIX_STORE_COORD_H +#define LMP_FIX_STORE_COORD_H #include "fix.h" @@ -41,3 +47,4 @@ class FixStoreCoord : public Fix { } #endif +#endif diff --git a/src/fix_store_force.h b/src/fix_store_force.h index 030910f724..fca59f50ce 100644 --- a/src/fix_store_force.h +++ b/src/fix_store_force.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_STORE_FORCE_H -#define FIX_STORE_FORCE_H +#ifdef FIX_CLASS + +FixStyle(store/force,FixStoreForce) + +#else + +#ifndef LMP_FIX_STORE_FORCE_H +#define LMP_FIX_STORE_FORCE_H #include "fix.h" @@ -40,3 +46,4 @@ class FixStoreForce : public Fix { } #endif +#endif diff --git a/src/fix_temp_berendsen.h b/src/fix_temp_berendsen.h index ff80cc8405..3e698cc7b8 100644 --- a/src/fix_temp_berendsen.h +++ b/src/fix_temp_berendsen.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TEMP_BERENDSEN_H -#define FIX_TEMP_BERENDSEN_H +#ifdef FIX_CLASS + +FixStyle(temp/berendsen,FixTempBerendsen) + +#else + +#ifndef LMP_FIX_TEMP_BERENDSEN_H +#define LMP_FIX_TEMP_BERENDSEN_H #include "fix.h" @@ -40,3 +46,4 @@ class FixTempBerendsen : public Fix { } #endif +#endif diff --git a/src/fix_temp_rescale.h b/src/fix_temp_rescale.h index 4f2f0c2a93..f710bc7cd1 100644 --- a/src/fix_temp_rescale.h +++ b/src/fix_temp_rescale.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TEMP_RESCALE_H -#define FIX_TEMP_RESCALE_H +#ifdef FIX_CLASS + +FixStyle(temp/rescale,FixTempRescale) + +#else + +#ifndef LMP_FIX_TEMP_RESCALE_H +#define LMP_FIX_TEMP_RESCALE_H #include "fix.h" @@ -42,3 +48,4 @@ class FixTempRescale : public Fix { } #endif +#endif diff --git a/src/fix_thermal_conductivity.h b/src/fix_thermal_conductivity.h index 0766924397..ed9117ca91 100644 --- a/src/fix_thermal_conductivity.h +++ b/src/fix_thermal_conductivity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_THERMAL_CONDUCTIVITY_H -#define FIX_THERMAL_CONDUCTIVITY_H +#ifdef FIX_CLASS + +FixStyle(thermal/conductivity,FixThermalConductivity) + +#else + +#ifndef LMP_FIX_THERMAL_CONDUCTIVITY_H +#define LMP_FIX_THERMAL_CONDUCTIVITY_H #include "fix.h" @@ -43,3 +49,4 @@ class FixThermalConductivity : public Fix { } #endif +#endif diff --git a/src/fix_tmd.h b/src/fix_tmd.h index ffa916182a..785bae60ca 100644 --- a/src/fix_tmd.h +++ b/src/fix_tmd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TMD_H -#define FIX_TMD_H +#ifdef FIX_CLASS + +FixStyle(tmd,FixTMD) + +#else + +#ifndef LMP_FIX_TMD_H +#define LMP_FIX_TMD_H #include "stdio.h" #include "fix.h" @@ -52,3 +58,4 @@ class FixTMD : public Fix { } #endif +#endif diff --git a/src/fix_ttm.h b/src/fix_ttm.h index eedd1cc855..f02e3abfeb 100644 --- a/src/fix_ttm.h +++ b/src/fix_ttm.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_TTM_H -#define FIX_TTM_H +#ifdef FIX_CLASS + +FixStyle(ttm,FixTTM) + +#else + +#ifndef LMP_FIX_TTM_H +#define LMP_FIX_TTM_H #include "fix.h" @@ -67,3 +73,4 @@ class FixTTM : public Fix { } #endif +#endif diff --git a/src/fix_viscosity.h b/src/fix_viscosity.h index 0d34bfb736..fc62d4b323 100644 --- a/src/fix_viscosity.h +++ b/src/fix_viscosity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_VISCOSITY_H -#define FIX_VISCOSITY_H +#ifdef FIX_CLASS + +FixStyle(viscosity,FixViscosity) + +#else + +#ifndef LMP_FIX_VISCOSITY_H +#define LMP_FIX_VISCOSITY_H #include "fix.h" @@ -44,3 +50,4 @@ class FixViscosity : public Fix { } #endif +#endif diff --git a/src/fix_viscous.h b/src/fix_viscous.h index eddf49d735..ae1e48983b 100644 --- a/src/fix_viscous.h +++ b/src/fix_viscous.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_VISCOUS_H -#define FIX_VISCOUS_H +#ifdef FIX_CLASS + +FixStyle(viscous,FixViscous) + +#else + +#ifndef LMP_FIX_VISCOUS_H +#define LMP_FIX_VISCOUS_H #include "fix.h" @@ -36,3 +42,4 @@ class FixViscous : public Fix { } #endif +#endif diff --git a/src/fix_wall.h b/src/fix_wall.h index 220a133710..dc7c26963a 100644 --- a/src/fix_wall.h +++ b/src/fix_wall.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_H -#define FIX_WALL_H +#ifndef LMP_FIX_WALL_H +#define LMP_FIX_WALL_H #include "fix.h" diff --git a/src/fix_wall_harmonic.h b/src/fix_wall_harmonic.h index debfd64bd1..391a2880e3 100644 --- a/src/fix_wall_harmonic.h +++ b/src/fix_wall_harmonic.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_HARMONIC_H -#define FIX_WALL_HARMONIC_H +#ifdef FIX_CLASS + +FixStyle(wall/harmonic,FixWallHarmonic) + +#else + +#ifndef LMP_FIX_WALL_HARMONIC_H +#define LMP_FIX_WALL_HARMONIC_H #include "fix_wall.h" @@ -31,3 +37,4 @@ class FixWallHarmonic : public FixWall { } #endif +#endif diff --git a/src/fix_wall_lj126.h b/src/fix_wall_lj126.h index 2c2ddebacb..1a4f17db47 100644 --- a/src/fix_wall_lj126.h +++ b/src/fix_wall_lj126.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_LJ126_H -#define FIX_WALL_LJ126_H +#ifdef FIX_CLASS + +FixStyle(wall/lj126,FixWallLJ126) + +#else + +#ifndef LMP_FIX_WALL_LJ126_H +#define LMP_FIX_WALL_LJ126_H #include "fix_wall.h" @@ -30,3 +36,4 @@ class FixWallLJ126 : public FixWall { #endif } +#endif diff --git a/src/fix_wall_lj93.h b/src/fix_wall_lj93.h index 9020731b9b..3a6cd77957 100644 --- a/src/fix_wall_lj93.h +++ b/src/fix_wall_lj93.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_LJ93_H -#define FIX_WALL_LJ93_H +#ifdef FIX_CLASS + +FixStyle(wall/lj93,FixWallLJ93) + +#else + +#ifndef LMP_FIX_WALL_LJ93_H +#define LMP_FIX_WALL_LJ93_H #include "fix_wall.h" @@ -31,3 +37,4 @@ class FixWallLJ93 : public FixWall { } #endif +#endif diff --git a/src/fix_wall_reflect.h b/src/fix_wall_reflect.h index e3694cce75..6d0c3cb47d 100644 --- a/src/fix_wall_reflect.h +++ b/src/fix_wall_reflect.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_REFLECT_H -#define FIX_WALL_REFLECT_H +#ifdef FIX_CLASS + +FixStyle(wall/reflect,FixWallReflect) + +#else + +#ifndef LMP_FIX_WALL_REFLECT_H +#define LMP_FIX_WALL_REFLECT_H #include "fix.h" @@ -32,3 +38,4 @@ class FixWallReflect : public Fix { } #endif +#endif diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h index e79ea7ef79..f11d38ee53 100644 --- a/src/fix_wall_region.h +++ b/src/fix_wall_region.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FIX_WALL_REGION_H -#define FIX_WALL_REGION_H +#ifdef FIX_CLASS + +FixStyle(wall/region,FixWallRegion) + +#else + +#ifndef LMP_FIX_WALL_REGION_H +#define LMP_FIX_WALL_REGION_H #include "fix.h" @@ -52,3 +58,4 @@ class FixWallRegion : public Fix { } #endif +#endif diff --git a/src/force.cpp b/src/force.cpp index 55b311e131..cf6ebc1d54 100644 --- a/src/force.cpp +++ b/src/force.cpp @@ -15,6 +15,12 @@ #include "string.h" #include "ctype.h" #include "force.h" +#include "style_bond.h" +#include "style_angle.h" +#include "style_dihedral.h" +#include "style_improper.h" +#include "style_pair.h" +#include "style_kspace.h" #include "atom.h" #include "comm.h" #include "pair.h" @@ -29,20 +35,6 @@ #include "memory.h" #include "error.h" -#define BondInclude -#define AngleInclude -#define DihedralInclude -#define ImproperInclude -#define PairInclude -#define KSpaceInclude -#include "style.h" -#undef BondInclude -#undef AngleInclude -#undef DihedralInclude -#undef ImproperInclude -#undef PairInclude -#undef KSpaceInclude - using namespace LAMMPS_NS; #define MIN(a,b) ((a) < (b) ? (a) : (b)) @@ -142,11 +134,11 @@ Pair *Force::new_pair(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define PairClass +#define PAIR_CLASS #define PairStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef PairClass +#include "style_pair.h" +#undef PAIR_CLASS else error->all("Invalid pair style"); return NULL; @@ -220,11 +212,11 @@ Bond *Force::new_bond(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define BondClass +#define BOND_CLASS #define BondStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef BondClass +#include "style_bond.h" +#undef BOND_CLASS else error->all("Invalid bond style"); return NULL; @@ -268,11 +260,11 @@ Angle *Force::new_angle(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define AngleClass +#define ANGLE_CLASS #define AngleStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef AngleClass +#include "style_angle.h" +#undef ANGLE_CLASS else error->all("Invalid angle style"); return NULL; @@ -301,11 +293,11 @@ Dihedral *Force::new_dihedral(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define DihedralClass +#define DIHEDRAL_CLASS #define DihedralStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef DihedralClass +#include "style_dihedral.h" +#undef DIHEDRAL_CLASS else error->all("Invalid dihedral style"); return NULL; @@ -334,11 +326,11 @@ Improper *Force::new_improper(const char *style) { if (strcmp(style,"none") == 0) return NULL; -#define ImproperClass +#define IMPROPER_CLASS #define ImproperStyle(key,Class) \ else if (strcmp(style,#key) == 0) return new Class(lmp); -#include "style.h" -#undef ImproperClass +#include "style_improper.h" +#undef IMPROPER_CLASS else error->all("Invalid improper style"); return NULL; @@ -355,11 +347,11 @@ void Force::create_kspace(int narg, char **arg) if (strcmp(arg[0],"none") == 0) kspace = NULL; -#define KSpaceClass +#define KSPACE_CLASS #define KSpaceStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) kspace = new Class(lmp,narg-1,&arg[1]); -#include "style.h" -#undef KSpaceClass +#include "style_kspace.h" +#undef KSPACE_CLASS else error->all("Invalid kspace style"); diff --git a/src/force.h b/src/force.h index dda72c92d7..73c27eba24 100644 --- a/src/force.h +++ b/src/force.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef FORCE_H -#define FORCE_H +#ifndef LMP_FORCE_H +#define LMP_FORCE_H #include "pointers.h" diff --git a/src/group.h b/src/group.h index 4afe41cf26..fd824e20c8 100644 --- a/src/group.h +++ b/src/group.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef GROUP_H -#define GROUP_H +#ifndef LMP_GROUP_H +#define LMP_GROUP_H #include "stdio.h" #include "pointers.h" diff --git a/src/improper.h b/src/improper.h index 6039e2ec65..acc4771e63 100644 --- a/src/improper.h +++ b/src/improper.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef IMPROPER_H -#define IMPROPER_H +#ifndef LMP_IMPROPER_H +#define LMP_IMPROPER_H #include "stdio.h" #include "pointers.h" diff --git a/src/input.cpp b/src/input.cpp index ba582b14fe..ac6da866a5 100644 --- a/src/input.cpp +++ b/src/input.cpp @@ -16,6 +16,7 @@ #include "stdlib.h" #include "string.h" #include "input.h" +#include "style_command.h" #include "universe.h" #include "atom.h" #include "atom_vec.h" @@ -41,10 +42,6 @@ #include "error.h" #include "memory.h" -#define CommandInclude -#include "style.h" -#undef CommandInclude - using namespace LAMMPS_NS; #define MAXLINE 2048 @@ -466,15 +463,15 @@ int Input::execute_command() if (0) return 0; // dummy line to enable else-if macro expansion -#define CommandClass +#define COMMAND_CLASS #define CommandStyle(key,Class) \ else if (strcmp(command,#key) == 0) { \ Class key(lmp); \ key.command(narg,arg); \ return 0; \ } -#include "style.h" -#undef CommandClass +#include "style_command.h" +#undef COMMAND_CLASS // unrecognized command diff --git a/src/input.h b/src/input.h index e87da3804b..17c96e2128 100644 --- a/src/input.h +++ b/src/input.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef INPUT_H -#define INPUT_H +#ifndef LMP_INPUT_H +#define LMP_INPUT_H #include "stdio.h" #include "pointers.h" diff --git a/src/integrate.h b/src/integrate.h index 88ede97adc..8c7d948b37 100644 --- a/src/integrate.h +++ b/src/integrate.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef INTEGRATE_H -#define INTEGRATE_H +#ifndef LMP_INTEGRATE_H +#define LMP_INTEGRATE_H #include "pointers.h" diff --git a/src/kspace.h b/src/kspace.h index f22f7d72fc..bd117085bf 100644 --- a/src/kspace.h +++ b/src/kspace.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef KSPACE_H -#define KSPACE_H +#ifndef LMP_KSPACE_H +#define LMP_KSPACE_H #include "pointers.h" diff --git a/src/lammps.h b/src/lammps.h index 11e62f7c2e..45c6fb7763 100644 --- a/src/lammps.h +++ b/src/lammps.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef LAMMPS_H -#define LAMMPS_H +#ifndef LMP_LAMMPS_H +#define LMP_LAMMPS_H #include "mpi.h" #include "stdio.h" diff --git a/src/lattice.h b/src/lattice.h index 5010777790..358206c829 100644 --- a/src/lattice.h +++ b/src/lattice.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef LATTICE_H -#define LATTICE_H +#ifndef LMP_LATTICE_H +#define LMP_LATTICE_H #include "pointers.h" diff --git a/src/math_extra.h b/src/math_extra.h index 649d4910a7..e907ed78e1 100755 --- a/src/math_extra.h +++ b/src/math_extra.h @@ -15,8 +15,8 @@ Contributing author: Mike Brown (SNL) ------------------------------------------------------------------------- */ -#ifndef MATH_EXTRA_H -#define MATH_EXTRA_H +#ifndef LMP_MATH_EXTRA_H +#define LMP_MATH_EXTRA_H #include "math.h" #include "stdio.h" diff --git a/src/memory.h b/src/memory.h index 39b79f7060..dae82682ff 100644 --- a/src/memory.h +++ b/src/memory.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MEMORY_H -#define MEMORY_H +#ifndef LMP_MEMORY_H +#define LMP_MEMORY_H #include "pointers.h" diff --git a/src/min.h b/src/min.h index 6091d2c3ad..358880839f 100644 --- a/src/min.h +++ b/src/min.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_H -#define MIN_H +#ifndef LMP_MIN_H +#define LMP_MIN_H #include "pointers.h" diff --git a/src/min_cg.h b/src/min_cg.h index 79a6a109d3..5588e4f3fb 100644 --- a/src/min_cg.h +++ b/src/min_cg.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_CG_H -#define MIN_CG_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(cg,MinCG) + +#else + +#ifndef LMP_MIN_CG_H +#define LMP_MIN_CG_H #include "min_linesearch.h" @@ -27,3 +33,4 @@ class MinCG : public MinLineSearch { } #endif +#endif diff --git a/src/min_hftn.h b/src/min_hftn.h index 3268a924bc..4cfaf40247 100644 --- a/src/min_hftn.h +++ b/src/min_hftn.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_HFTN_H -#define MIN_HFTN_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(hftn,MinHFTN) + +#else + +#ifndef LMP_MIN_HFTN_H +#define LMP_MIN_HFTN_H #include "min.h" @@ -117,3 +123,4 @@ class MinHFTN : public Min } #endif +#endif diff --git a/src/min_linesearch.h b/src/min_linesearch.h index 938163d40c..893a9cf47d 100644 --- a/src/min_linesearch.h +++ b/src/min_linesearch.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_LSRCH_H -#define MIN_LSRCH_H +#ifndef LMP_MIN_LSRCH_H +#define LMP_MIN_LSRCH_H #include "min.h" diff --git a/src/min_sd.h b/src/min_sd.h index 47e1555f7a..75928b191c 100644 --- a/src/min_sd.h +++ b/src/min_sd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MIN_SD_H -#define MIN_SD_H +#ifdef MINIMIZE_CLASS + +MinimizeStyle(sd,MinSD) + +#else + +#ifndef LMP_MIN_SD_H +#define LMP_MIN_SD_H #include "min_linesearch.h" @@ -27,3 +33,4 @@ class MinSD : public MinLineSearch { } #endif +#endif diff --git a/src/minimize.h b/src/minimize.h index 3f0c86eba8..61f81748f9 100644 --- a/src/minimize.h +++ b/src/minimize.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MINIMIZE_H -#define MINIMIZE_H +#ifdef COMMAND_CLASS + +CommandStyle(minimize,Minimize) + +#else + +#ifndef LMP_MINIMIZE_H +#define LMP_MINIMIZE_H #include "pointers.h" @@ -27,3 +33,4 @@ class Minimize : protected Pointers { } #endif +#endif diff --git a/src/modify.cpp b/src/modify.cpp index 8321a75179..2500e33511 100644 --- a/src/modify.cpp +++ b/src/modify.cpp @@ -14,6 +14,8 @@ #include "stdio.h" #include "string.h" #include "modify.h" +#include "style_compute.h" +#include "style_fix.h" #include "atom.h" #include "comm.h" #include "fix.h" @@ -24,12 +26,6 @@ #include "memory.h" #include "error.h" -#define ComputeInclude -#define FixInclude -#include "style.h" -#undef ComputeInclude -#undef FixInclude - using namespace LAMMPS_NS; #define DELTA 4 @@ -562,11 +558,11 @@ void Modify::add_fix(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define FixClass +#define FIX_CLASS #define FixStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) fix[ifix] = new Class(lmp,narg,arg); -#include "style.h" -#undef FixClass +#include "style_fix.h" +#undef FIX_CLASS else error->all("Invalid fix style"); @@ -686,11 +682,12 @@ void Modify::add_compute(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define ComputeClass +#define COMPUTE_CLASS #define ComputeStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) \ compute[ncompute] = new Class(lmp,narg,arg); -#include "style.h" +#include "style_compute.h" +#undef COMPUTE_CLASS else error->all("Invalid compute style"); diff --git a/src/modify.h b/src/modify.h index d71d223ccd..07d53116e9 100644 --- a/src/modify.h +++ b/src/modify.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef MODIFY_H -#define MODIFY_H +#ifndef LMP_MODIFY_H +#define LMP_MODIFY_H #include "stdio.h" #include "pointers.h" diff --git a/src/neigh_list.h b/src/neigh_list.h index ec3de5ba13..67ef125dc7 100644 --- a/src/neigh_list.h +++ b/src/neigh_list.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGH_LIST_H -#define NEIGH_LIST_H +#ifndef LMP_NEIGH_LIST_H +#define LMP_NEIGH_LIST_H #include "pointers.h" diff --git a/src/neigh_request.h b/src/neigh_request.h index 4c9abf8276..2efc042c6e 100644 --- a/src/neigh_request.h +++ b/src/neigh_request.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGH_REQUEST_H -#define NEIGH_REQUEST_H +#ifndef LMP_NEIGH_REQUEST_H +#define LMP_NEIGH_REQUEST_H #include "pointers.h" diff --git a/src/neighbor.h b/src/neighbor.h index ecb567690a..5f5951fc37 100644 --- a/src/neighbor.h +++ b/src/neighbor.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef NEIGHBOR_H -#define NEIGHBOR_H +#ifndef LMP_NEIGHBOR_H +#define LMP_NEIGHBOR_H #include "pointers.h" diff --git a/src/output.cpp b/src/output.cpp index 5cf381dcd2..6ed58fa032 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -15,6 +15,7 @@ #include "stdlib.h" #include "string.h" #include "output.h" +#include "style_dump.h" #include "atom.h" #include "neighbor.h" #include "comm.h" @@ -30,10 +31,6 @@ #include "memory.h" #include "error.h" -#define DumpInclude -#include "style.h" -#undef DumpInclude - using namespace LAMMPS_NS; #define DELTA 1 @@ -325,11 +322,11 @@ void Output::add_dump(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define DumpClass +#define DUMP_CLASS #define DumpStyle(key,Class) \ else if (strcmp(arg[2],#key) == 0) dump[ndump] = new Class(lmp,narg,arg); -#include "style.h" -#undef DumpClass +#include "style_dump.h" +#undef DUMP_CLASS else error->all("Invalid dump style"); diff --git a/src/output.h b/src/output.h index 2dedbf634e..18db730db9 100644 --- a/src/output.h +++ b/src/output.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef OUTPUT_H -#define OUTPUT_H +#ifndef LMP_OUTPUT_H +#define LMP_OUTPUT_H #include "pointers.h" diff --git a/src/pair.h b/src/pair.h index 653e57119f..8bb36b13c8 100644 --- a/src/pair.h +++ b/src/pair.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_H -#define PAIR_H +#ifndef LMP_PAIR_H +#define LMP_PAIR_H #include "pointers.h" diff --git a/src/pair_buck.h b/src/pair_buck.h index 9f723820f3..21ba0563f9 100644 --- a/src/pair_buck.h +++ b/src/pair_buck.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_H -#define PAIR_BUCK_H +#ifdef PAIR_CLASS + +PairStyle(buck,PairBuck) + +#else + +#ifndef LMP_PAIR_BUCK_H +#define LMP_PAIR_BUCK_H #include "pair.h" @@ -44,3 +50,4 @@ class PairBuck : public Pair { } #endif +#endif diff --git a/src/pair_buck_coul_cut.h b/src/pair_buck_coul_cut.h index 58d1f7068a..dcf7a5c4e9 100644 --- a/src/pair_buck_coul_cut.h +++ b/src/pair_buck_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_BUCK_COUL_CUT_H -#define PAIR_BUCK_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(buck/coul/cut,PairBuckCoulCut) + +#else + +#ifndef LMP_PAIR_BUCK_COUL_CUT_H +#define LMP_PAIR_BUCK_COUL_CUT_H #include "pair.h" @@ -46,3 +52,4 @@ class PairBuckCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_coul_cut.h b/src/pair_coul_cut.h index 249488e91f..26854d45aa 100644 --- a/src/pair_coul_cut.h +++ b/src/pair_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COUL_CUT_H -#define PAIR_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(coul/cut,PairCoulCut) + +#else + +#ifndef LMP_PAIR_COUL_CUT_H +#define LMP_PAIR_COUL_CUT_H #include "pair.h" @@ -43,3 +49,4 @@ class PairCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_coul_debye.h b/src/pair_coul_debye.h index 7a1a8d5c17..38e50af2f6 100644 --- a/src/pair_coul_debye.h +++ b/src/pair_coul_debye.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_COUL_DEBYE_H -#define PAIR_COUL_DEBYE_H +#ifdef PAIR_CLASS + +PairStyle(coul/debye,PairCoulDebye) + +#else + +#ifndef LMP_PAIR_COUL_DEBYE_H +#define LMP_PAIR_COUL_DEBYE_H #include "pair_coul_cut.h" @@ -34,3 +40,4 @@ class PairCoulDebye : public PairCoulCut { } #endif +#endif diff --git a/src/pair_dpd.h b/src/pair_dpd.h index af3d64ffae..2237ae6fdd 100644 --- a/src/pair_dpd.h +++ b/src/pair_dpd.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_DPD_H -#define PAIR_DPD_H +#ifdef PAIR_CLASS + +PairStyle(dpd,PairDPD) + +#else + +#ifndef LMP_PAIR_DPD_H +#define LMP_PAIR_DPD_H #include "pair.h" @@ -47,3 +53,4 @@ class PairDPD : public Pair { } #endif +#endif diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h index 68b1ea35d1..6b66ccd5ec 100644 --- a/src/pair_hybrid.h +++ b/src/pair_hybrid.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_HYBRID_H -#define PAIR_HYBRID_H +#ifdef PAIR_CLASS + +PairStyle(hybrid,PairHybrid) + +#else + +#ifndef LMP_PAIR_HYBRID_H +#define LMP_PAIR_HYBRID_H #include "stdio.h" #include "pair.h" @@ -55,3 +61,4 @@ class PairHybrid : public Pair { } #endif +#endif diff --git a/src/pair_hybrid_overlay.h b/src/pair_hybrid_overlay.h index 4603f47bc5..770e0e066c 100644 --- a/src/pair_hybrid_overlay.h +++ b/src/pair_hybrid_overlay.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_HYBRID_OVERLAY_H -#define PAIR_HYBRID_OVERLAY_H +#ifdef PAIR_CLASS + +PairStyle(hybrid/overlay,PairHybridOverlay) + +#else + +#ifndef LMP_PAIR_HYBRID_OVERLAY_H +#define LMP_PAIR_HYBRID_OVERLAY_H #include "pair_hybrid.h" @@ -30,3 +36,4 @@ class PairHybridOverlay : public PairHybrid { } #endif +#endif diff --git a/src/pair_lj96_cut.h b/src/pair_lj96_cut.h index a92e1b4dba..0d65d8d0b2 100644 --- a/src/pair_lj96_cut.h +++ b/src/pair_lj96_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ96_CUT_H -#define PAIR_LJ96_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj96/cut,PairLJ96Cut) + +#else + +#ifndef LMP_PAIR_LJ96_CUT_H +#define LMP_PAIR_LJ96_CUT_H #include "pair.h" @@ -51,3 +57,4 @@ class PairLJ96Cut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut.h b/src/pair_lj_cut.h index c7ebc448f2..b26aa5f5d4 100644 --- a/src/pair_lj_cut.h +++ b/src/pair_lj_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_H -#define PAIR_LJ_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut,PairLJCut) + +#else + +#ifndef LMP_PAIR_LJ_CUT_H +#define LMP_PAIR_LJ_CUT_H #include "pair.h" @@ -51,3 +57,4 @@ class PairLJCut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut_coul_cut.h b/src/pair_lj_cut_coul_cut.h index 92f0da1bc5..0302f2d21b 100644 --- a/src/pair_lj_cut_coul_cut.h +++ b/src/pair_lj_cut_coul_cut.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_CUT_H -#define PAIR_LJ_CUT_COUL_CUT_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/cut,PairLJCutCoulCut) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_CUT_H +#define LMP_PAIR_LJ_CUT_COUL_CUT_H #include "pair.h" @@ -46,3 +52,4 @@ class PairLJCutCoulCut : public Pair { } #endif +#endif diff --git a/src/pair_lj_cut_coul_debye.h b/src/pair_lj_cut_coul_debye.h index 00962b2495..f112e5df7e 100644 --- a/src/pair_lj_cut_coul_debye.h +++ b/src/pair_lj_cut_coul_debye.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_CUT_COUL_DEBYE_H -#define PAIR_LJ_CUT_COUL_DEBYE_H +#ifdef PAIR_CLASS + +PairStyle(lj/cut/coul/debye,PairLJCutCoulDebye) + +#else + +#ifndef LMP_PAIR_LJ_CUT_COUL_DEBYE_H +#define LMP_PAIR_LJ_CUT_COUL_DEBYE_H #include "pair_lj_cut_coul_cut.h" @@ -34,3 +40,4 @@ class PairLJCutCoulDebye : public PairLJCutCoulCut { } #endif +#endif diff --git a/src/pair_lj_expand.h b/src/pair_lj_expand.h index 65cf6186b3..fa6b136c67 100644 --- a/src/pair_lj_expand.h +++ b/src/pair_lj_expand.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_EXPAND_H -#define PAIR_LJ_EXPAND_H +#ifdef PAIR_CLASS + +PairStyle(lj/expand,PairLJExpand) + +#else + +#ifndef LMP_PAIR_LJ_EXPAND_H +#define LMP_PAIR_LJ_EXPAND_H #include "pair.h" @@ -44,3 +50,4 @@ class PairLJExpand : public Pair { } #endif +#endif diff --git a/src/pair_lj_gromacs.h b/src/pair_lj_gromacs.h index aad55f1e13..c6a7b5976f 100644 --- a/src/pair_lj_gromacs.h +++ b/src/pair_lj_gromacs.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_GROMACS_H -#define PAIR_LJ_GROMACS_H +#ifdef PAIR_CLASS + +PairStyle(lj/gromacs,PairLJGromacs) + +#else + +#ifndef LMP_PAIR_LJ_GROMACS_H +#define LMP_PAIR_LJ_GROMACS_H #include "pair.h" @@ -45,3 +51,4 @@ class PairLJGromacs : public Pair { } #endif +#endif diff --git a/src/pair_lj_gromacs_coul_gromacs.h b/src/pair_lj_gromacs_coul_gromacs.h index c7aafd7c49..5f41a456aa 100644 --- a/src/pair_lj_gromacs_coul_gromacs.h +++ b/src/pair_lj_gromacs_coul_gromacs.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_GROMACS_COUL_GROMACS_H -#define PAIR_LJ_GROMACS_COUL_GROMACS_H +#ifdef PAIR_CLASS + +PairStyle(lj/gromacs/coul/gromacs,PairLJGromacsCoulGromacs) + +#else + +#ifndef LMP_PAIR_LJ_GROMACS_COUL_GROMACS_H +#define LMP_PAIR_LJ_GROMACS_COUL_GROMACS_H #include "pair.h" @@ -47,3 +53,4 @@ class PairLJGromacsCoulGromacs : public Pair { } #endif +#endif diff --git a/src/pair_lj_smooth.h b/src/pair_lj_smooth.h index 641f5b2a44..1e0faf9c83 100644 --- a/src/pair_lj_smooth.h +++ b/src/pair_lj_smooth.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_LJ_SMOOTH_H -#define PAIR_LJ_SMOOTH_H +#ifdef PAIR_CLASS + +PairStyle(lj/smooth,PairLJSmooth) + +#else + +#ifndef LMP_PAIR_LJ_SMOOTH_H +#define LMP_PAIR_LJ_SMOOTH_H #include "pair.h" @@ -46,3 +52,4 @@ class PairLJSmooth : public Pair { } #endif +#endif diff --git a/src/pair_morse.h b/src/pair_morse.h index 1f4f96b573..aca12aecc3 100644 --- a/src/pair_morse.h +++ b/src/pair_morse.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_MORSE_H -#define PAIR_MORSE_H +#ifdef PAIR_CLASS + +PairStyle(morse,PairMorse) + +#else + +#ifndef LMP_PAIR_MORSE_H +#define LMP_PAIR_MORSE_H #include "pair.h" @@ -45,3 +51,4 @@ class PairMorse : public Pair { } #endif +#endif diff --git a/src/pair_soft.h b/src/pair_soft.h index f4996864c1..026c351f64 100644 --- a/src/pair_soft.h +++ b/src/pair_soft.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_SOFT_H -#define PAIR_SOFT_H +#ifdef PAIR_CLASS + +PairStyle(soft,PairSoft) + +#else + +#ifndef LMP_PAIR_SOFT_H +#define LMP_PAIR_SOFT_H #include "pair.h" @@ -47,3 +53,4 @@ class PairSoft : public Pair { } #endif +#endif diff --git a/src/pair_table.h b/src/pair_table.h index 9b1b9bf770..d56c1b8d40 100644 --- a/src/pair_table.h +++ b/src/pair_table.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_TABLE_H -#define PAIR_TABLE_H +#ifdef PAIR_CLASS + +PairStyle(table,PairTable) + +#else + +#ifndef LMP_PAIR_TABLE_H +#define LMP_PAIR_TABLE_H #include "pair.h" @@ -64,3 +70,4 @@ class PairTable : public Pair { } #endif +#endif diff --git a/src/pair_yukawa.h b/src/pair_yukawa.h index 2d81275212..9d1671b734 100644 --- a/src/pair_yukawa.h +++ b/src/pair_yukawa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef PAIR_YUKAWA_H -#define PAIR_YUKAWA_H +#ifdef PAIR_CLASS + +PairStyle(yukawa,PairYukawa) + +#else + +#ifndef LMP_PAIR_YUKAWA_H +#define LMP_PAIR_YUKAWA_H #include "pair.h" @@ -43,3 +49,4 @@ class PairYukawa : public Pair { } #endif +#endif diff --git a/src/pointers.h b/src/pointers.h index 4d479f4433..1824a3f0b9 100644 --- a/src/pointers.h +++ b/src/pointers.h @@ -18,8 +18,8 @@ // *& variables are really pointers to the pointers in lammps.h // & enables them to be accessed directly in any class, e.g. error->all() -#ifndef POINTERS_H -#define POINTERS_H +#ifndef LMP_POINTERS_H +#define LMP_POINTERS_H #include "mpi.h" #include "lammps.h" diff --git a/src/random_mars.h b/src/random_mars.h index fd93ad6aba..19bf3df83c 100644 --- a/src/random_mars.h +++ b/src/random_mars.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RANMARS_H -#define RANMARS_H +#ifndef LMP_RANMARS_H +#define LMP_RANMARS_H #include "pointers.h" diff --git a/src/random_park.h b/src/random_park.h index 290a61194d..3119ae995a 100644 --- a/src/random_park.h +++ b/src/random_park.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RANPARK_H -#define RANPARK_H +#ifndef LMP_RANPARK_H +#define LMP_RANPARK_H #include "pointers.h" diff --git a/src/read_data.h b/src/read_data.h index 50144694a3..f0f85792e1 100644 --- a/src/read_data.h +++ b/src/read_data.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef READ_DATA_H -#define READ_DATA_H +#ifdef COMMAND_CLASS + +CommandStyle(read_data,ReadData) + +#else + +#ifndef LMP_READ_DATA_H +#define LMP_READ_DATA_H #include "stdio.h" #include "pointers.h" @@ -61,3 +67,4 @@ class ReadData : protected Pointers { } #endif +#endif diff --git a/src/read_restart.h b/src/read_restart.h index e45af62530..2db6421d95 100644 --- a/src/read_restart.h +++ b/src/read_restart.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef READ_RESTART_H -#define READ_RESTART_H +#ifdef COMMAND_CLASS + +CommandStyle(read_restart,ReadRestart) + +#else + +#ifndef LMP_READ_RESTART_H +#define LMP_READ_RESTART_H #include "stdio.h" #include "pointers.h" @@ -42,3 +48,4 @@ class ReadRestart : protected Pointers { } #endif +#endif diff --git a/src/region.h b/src/region.h index 5e20edaa95..4fdb8011ba 100644 --- a/src/region.h +++ b/src/region.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_H -#define REGION_H +#ifndef LMP_REGION_H +#define LMP_REGION_H #include "pointers.h" diff --git a/src/region_block.h b/src/region_block.h index 1cd05ae00b..82a3e93c93 100644 --- a/src/region_block.h +++ b/src/region_block.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_BLOCK_H -#define REGION_BLOCK_H +#ifdef REGION_CLASS + +RegionStyle(block,RegBlock) + +#else + +#ifndef LMP_REGION_BLOCK_H +#define LMP_REGION_BLOCK_H #include "region.h" @@ -35,3 +41,4 @@ class RegBlock : public Region { } #endif +#endif diff --git a/src/region_cone.h b/src/region_cone.h index bd15eb3eb8..96121ec034 100644 --- a/src/region_cone.h +++ b/src/region_cone.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_CONE_H -#define REGION_CONE_H +#ifdef REGION_CLASS + +RegionStyle(cone,RegCone) + +#else + +#ifndef LMP_REGION_CONE_H +#define LMP_REGION_CONE_H #include "region.h" @@ -43,3 +49,4 @@ class RegCone : public Region { } #endif +#endif diff --git a/src/region_cylinder.h b/src/region_cylinder.h index 5d033b077d..60de581654 100644 --- a/src/region_cylinder.h +++ b/src/region_cylinder.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_CYLINDER_H -#define REGION_CYLINDER_H +#ifdef REGION_CLASS + +RegionStyle(cylinder,RegCylinder) + +#else + +#ifndef LMP_REGION_CYLINDER_H +#define LMP_REGION_CYLINDER_H #include "region.h" @@ -38,3 +44,4 @@ class RegCylinder : public Region { } #endif +#endif diff --git a/src/region_intersect.h b/src/region_intersect.h index a14a732a13..af16601bf6 100644 --- a/src/region_intersect.h +++ b/src/region_intersect.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_INTERSECT_H -#define REGION_INTERSECT_H +#ifdef REGION_CLASS + +RegionStyle(intersect,RegIntersect) + +#else + +#ifndef LMP_REGION_INTERSECT_H +#define LMP_REGION_INTERSECT_H #include "region.h" @@ -35,3 +41,4 @@ class RegIntersect : public Region { } #endif +#endif diff --git a/src/region_plane.h b/src/region_plane.h index 0cea928058..9dadd93071 100644 --- a/src/region_plane.h +++ b/src/region_plane.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_PLANE_H -#define REGION_PLANE_H +#ifdef REGION_CLASS + +RegionStyle(plane,RegPlane) + +#else + +#ifndef LMP_REGION_PLANE_H +#define LMP_REGION_PLANE_H #include "region.h" @@ -34,3 +40,4 @@ class RegPlane : public Region { } #endif +#endif diff --git a/src/region_prism.h b/src/region_prism.h index 9b9229c88a..fc3caf54b7 100644 --- a/src/region_prism.h +++ b/src/region_prism.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_PRISM_H -#define REGION_PRISM_H +#ifdef REGION_CLASS + +RegionStyle(prism,RegPrism) + +#else + +#ifndef LMP_REGION_PRISM_H +#define LMP_REGION_PRISM_H #include "region.h" @@ -53,3 +59,4 @@ class RegPrism : public Region { } #endif +#endif diff --git a/src/region_sphere.h b/src/region_sphere.h index 2d06f12403..46c990b7d1 100644 --- a/src/region_sphere.h +++ b/src/region_sphere.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_SPHERE_H -#define REGION_SPHERE_H +#ifdef REGION_CLASS + +RegionStyle(sphere,RegSphere) + +#else + +#ifndef LMP_REGION_SPHERE_H +#define LMP_REGION_SPHERE_H #include "region.h" @@ -34,3 +40,4 @@ class RegSphere : public Region { } #endif +#endif diff --git a/src/region_union.h b/src/region_union.h index 534d916873..8e09d638a3 100644 --- a/src/region_union.h +++ b/src/region_union.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REGION_UNION_H -#define REGION_UNION_H +#ifdef REGION_CLASS + +RegionStyle(union,RegUnion) + +#else + +#ifndef LMP_REGION_UNION_H +#define LMP_REGION_UNION_H #include "region.h" @@ -35,3 +41,4 @@ class RegUnion : public Region { } #endif +#endif diff --git a/src/replicate.h b/src/replicate.h index ced23ef514..db20f06e34 100644 --- a/src/replicate.h +++ b/src/replicate.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef REPLICATE_H -#define REPLICATE_H +#ifdef COMMAND_CLASS + +CommandStyle(replicate,Replicate) + +#else + +#ifndef LMP_REPLICATE_H +#define LMP_REPLICATE_H #include "pointers.h" @@ -27,3 +33,4 @@ class Replicate : protected Pointers { } #endif +#endif diff --git a/src/respa.h b/src/respa.h index 07bc2f47cb..0e13493331 100644 --- a/src/respa.h +++ b/src/respa.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RESPA_H -#define RESPA_H +#ifdef INTEGRATE_CLASS + +IntegrateStyle(respa,Respa) + +#else + +#ifndef LMP_RESPA_H +#define LMP_RESPA_H #include "integrate.h" @@ -59,3 +65,4 @@ class Respa : public Integrate { } #endif +#endif diff --git a/src/run.h b/src/run.h index 09816f4fa3..e42f3b1277 100644 --- a/src/run.h +++ b/src/run.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef RUN_H -#define RUN_H +#ifdef COMMAND_CLASS + +CommandStyle(run,Run) + +#else + +#ifndef LMP_RUN_H +#define LMP_RUN_H #include "pointers.h" @@ -27,3 +33,4 @@ class Run : protected Pointers { } #endif +#endif diff --git a/src/set.h b/src/set.h index e4d3313b3b..b49040f8ec 100644 --- a/src/set.h +++ b/src/set.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SET_H -#define SET_H +#ifdef COMMAND_CLASS + +CommandStyle(set,Set) + +#else + +#ifndef LMP_SET_H +#define LMP_SET_H #include "pointers.h" @@ -40,3 +46,4 @@ class Set : protected Pointers { } #endif +#endif diff --git a/src/shell.h b/src/shell.h index 326657e2a2..b039b016dc 100644 --- a/src/shell.h +++ b/src/shell.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SHELL_H -#define SHELL_H +#ifdef COMMAND_CLASS + +CommandStyle(shell,Shell) + +#else + +#ifndef LMP_SHELL_H +#define LMP_SHELL_H #include "pointers.h" @@ -27,3 +33,4 @@ class Shell : protected Pointers { } #endif +#endif diff --git a/src/special.h b/src/special.h index fbae488eb7..e36ecd18c8 100644 --- a/src/special.h +++ b/src/special.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef SPECIAL_H -#define SPECIAL_H +#ifndef LMP_SPECIAL_H +#define LMP_SPECIAL_H #include "pointers.h" diff --git a/src/style.h b/src/style.h deleted file mode 100644 index e8d150b787..0000000000 --- a/src/style.h +++ /dev/null @@ -1,412 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#endif - -#ifdef AngleClass -#endif - -#ifdef AtomInclude -#include "atom_vec_atomic.h" -#include "atom_vec_charge.h" -#include "atom_vec_hybrid.h" -#endif - -#ifdef AtomClass -AtomStyle(atomic,AtomVecAtomic) -AtomStyle(charge,AtomVecCharge) -AtomStyle(hybrid,AtomVecHybrid) -#endif - -#ifdef BondInclude -#endif - -#ifdef BondClass -#endif - -#ifdef CommandInclude -#include "change_box.h" -#include "create_atoms.h" -#include "create_box.h" -#include "delete_atoms.h" -#include "delete_bonds.h" -#include "displace_atoms.h" -#include "displace_box.h" -#include "minimize.h" -#include "read_data.h" -#include "read_restart.h" -#include "replicate.h" -#include "run.h" -#include "set.h" -#include "shell.h" -#include "temper.h" -#include "velocity.h" -#include "write_restart.h" -#endif - -#ifdef CommandClass -CommandStyle(change_box,ChangeBox) -CommandStyle(create_atoms,CreateAtoms) -CommandStyle(create_box,CreateBox) -CommandStyle(delete_atoms,DeleteAtoms) -CommandStyle(delete_bonds,DeleteBonds) -CommandStyle(displace_atoms,DisplaceAtoms) -CommandStyle(displace_box,DisplaceBox) -CommandStyle(minimize,Minimize) -CommandStyle(read_data,ReadData) -CommandStyle(read_restart,ReadRestart) -CommandStyle(replicate,Replicate) -CommandStyle(run,Run) -CommandStyle(set,Set) -CommandStyle(shell,Shell) -CommandStyle(temper,Temper) -CommandStyle(velocity,Velocity) -CommandStyle(write_restart,WriteRestart) -#endif - -#ifdef ComputeInclude -#include "compute_angle_local.h" -#include "compute_bond_local.h" -#include "compute_centro_atom.h" -#include "compute_cna_atom.h" -#include "compute_com.h" -#include "compute_com_molecule.h" -#include "compute_coord_atom.h" -#include "compute_dihedral_local.h" -#include "compute_displace_atom.h" -#include "compute_group_group.h" -#include "compute_gyration.h" -#include "compute_gyration_molecule.h" -#include "compute_heat_flux.h" -#include "compute_improper_local.h" -#include "compute_ke.h" -#include "compute_ke_atom.h" -#include "compute_msd.h" -#include "compute_msd_molecule.h" -#include "compute_pair_local.h" -#include "compute_pe.h" -#include "compute_pe_atom.h" -#include "compute_pressure.h" -#include "compute_rdf.h" -#include "compute_reduce.h" -#include "compute_reduce_region.h" -#include "compute_erotate_sphere.h" -#include "compute_property_atom.h" -#include "compute_property_local.h" -#include "compute_property_molecule.h" -#include "compute_stress_atom.h" -#include "compute_temp.h" -#include "compute_temp_com.h" -#include "compute_temp_deform.h" -#include "compute_temp_partial.h" -#include "compute_temp_profile.h" -#include "compute_temp_ramp.h" -#include "compute_temp_region.h" -#include "compute_temp_sphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(angle/local,ComputeAngleLocal) -ComputeStyle(bond/local,ComputeBondLocal) -ComputeStyle(centro/atom,ComputeCentroAtom) -ComputeStyle(cna/atom,ComputeCNAAtom) -ComputeStyle(com,ComputeCOM) -ComputeStyle(com/molecule,ComputeCOMMolecule) -ComputeStyle(coord/atom,ComputeCoordAtom) -ComputeStyle(dihedral/local,ComputeDihedralLocal) -ComputeStyle(displace/atom,ComputeDisplaceAtom) -ComputeStyle(group/group,ComputeGroupGroup) -ComputeStyle(gyration,ComputeGyration) -ComputeStyle(gyration/molecule,ComputeGyrationMolecule) -ComputeStyle(heat/flux,ComputeHeatFlux) -ComputeStyle(improper/local,ComputeImproperLocal) -ComputeStyle(ke,ComputeKE) -ComputeStyle(ke/atom,ComputeKEAtom) -ComputeStyle(msd,ComputeMSD) -ComputeStyle(msd/molecule,ComputeMSDMolecule) -ComputeStyle(pair/local,ComputePairLocal) -ComputeStyle(pe,ComputePE) -ComputeStyle(pe/atom,ComputePEAtom) -ComputeStyle(pressure,ComputePressure) -ComputeStyle(rdf,ComputeRDF) -ComputeStyle(reduce,ComputeReduce) -ComputeStyle(reduce/region,ComputeReduceRegion) -ComputeStyle(erotate/sphere,ComputeERotateSphere) -ComputeStyle(property/atom,ComputePropertyAtom) -ComputeStyle(property/local,ComputePropertyLocal) -ComputeStyle(property/molecule,ComputePropertyMolecule) -ComputeStyle(stress/atom,ComputeStressAtom) -ComputeStyle(temp,ComputeTemp) -ComputeStyle(temp/com,ComputeTempCOM) -ComputeStyle(temp/deform,ComputeTempDeform) -ComputeStyle(temp/partial,ComputeTempPartial) -ComputeStyle(temp/profile,ComputeTempProfile) -ComputeStyle(temp/ramp,ComputeTempRamp) -ComputeStyle(temp/region,ComputeTempRegion) -ComputeStyle(temp/sphere,ComputeTempSphere) -#endif - -#ifdef DihedralInclude -#endif - -#ifdef DihedralClass -#endif - -#ifdef DumpInclude -#include "dump_atom.h" -#include "dump_cfg.h" -#include "dump_custom.h" -#include "dump_dcd.h" -#include "dump_local.h" -#include "dump_xyz.h" -#endif - -#ifdef DumpClass -DumpStyle(atom,DumpAtom) -DumpStyle(cfg,DumpCFG) -DumpStyle(custom,DumpCustom) -DumpStyle(dcd,DumpDCD) -DumpStyle(local,DumpLocal) -DumpStyle(xyz,DumpXYZ) -#endif - -#ifdef FixInclude -#include "fix_addforce.h" -#include "fix_aveforce.h" -#include "fix_ave_atom.h" -#include "fix_ave_histo.h" -#include "fix_ave_spatial.h" -#include "fix_ave_time.h" -#include "fix_box_relax.h" -#include "fix_deform.h" -#include "fix_deposit.h" -#include "fix_drag.h" -#include "fix_dt_reset.h" -#include "fix_efield.h" -#include "fix_enforce2d.h" -#include "fix_evaporate.h" -#include "fix_gravity.h" -#include "fix_heat.h" -#include "fix_indent.h" -#include "fix_langevin.h" -#include "fix_lineforce.h" -#include "fix_minimize.h" -#include "fix_momentum.h" -#include "fix_move.h" -#include "fix_nph.h" -#include "fix_npt.h" -#include "fix_npt_sphere.h" -#include "fix_nve.h" -#include "fix_nve_limit.h" -#include "fix_nve_noforce.h" -#include "fix_nve_sphere.h" -#include "fix_nvt.h" -#include "fix_nvt_sllod.h" -#include "fix_nvt_sphere.h" -#include "fix_planeforce.h" -#include "fix_press_berendsen.h" -#include "fix_print.h" -#include "fix_orient_fcc.h" -#include "fix_recenter.h" -#include "fix_respa.h" -#include "fix_rigid.h" -#include "fix_set_force.h" -#include "fix_shake.h" -#include "fix_shear_history.h" -#include "fix_spring.h" -#include "fix_spring_rg.h" -#include "fix_spring_self.h" -#include "fix_store_coord.h" -#include "fix_store_force.h" -#include "fix_temp_berendsen.h" -#include "fix_temp_rescale.h" -#include "fix_thermal_conductivity.h" -#include "fix_tmd.h" -#include "fix_ttm.h" -#include "fix_viscosity.h" -#include "fix_viscous.h" -#include "fix_wall_harmonic.h" -#include "fix_wall_lj126.h" -#include "fix_wall_lj93.h" -#include "fix_wall_reflect.h" -#include "fix_wall_region.h" -#endif - -#ifdef FixClass -FixStyle(addforce,FixAddForce) -FixStyle(aveforce,FixAveForce) -FixStyle(ave/atom,FixAveAtom) -FixStyle(ave/histo,FixAveHisto) -FixStyle(ave/spatial,FixAveSpatial) -FixStyle(ave/time,FixAveTime) -FixStyle(box/relax,FixBoxRelax) -FixStyle(deform,FixDeform) -FixStyle(deposit,FixDeposit) -FixStyle(drag,FixDrag) -FixStyle(dt/reset,FixDtReset) -FixStyle(efield,FixEfield) -FixStyle(enforce2d,FixEnforce2D) -FixStyle(evaporate,FixEvaporate) -FixStyle(gravity,FixGravity) -FixStyle(heat,FixHeat) -FixStyle(indent,FixIndent) -FixStyle(langevin,FixLangevin) -FixStyle(lineforce,FixLineForce) -FixStyle(MINIMIZE,FixMinimize) -FixStyle(momentum,FixMomentum) -FixStyle(move,FixMove) -FixStyle(nph,FixNPH) -FixStyle(npt,FixNPT) -FixStyle(npt/sphere,FixNPTSphere) -FixStyle(nve,FixNVE) -FixStyle(nve/limit,FixNVELimit) -FixStyle(nve/noforce,FixNVENoforce) -FixStyle(nve/sphere,FixNVESphere) -FixStyle(nvt,FixNVT) -FixStyle(nvt/sllod,FixNVTSlodd) -FixStyle(nvt/sphere,FixNVTSphere) -FixStyle(orient/fcc,FixOrientFCC) -FixStyle(press/berendsen,FixPressBerendsen) -FixStyle(planeforce,FixPlaneForce) -FixStyle(print,FixPrint) -FixStyle(recenter,FixRecenter) -FixStyle(RESPA,FixRespa) -FixStyle(rigid,FixRigid) -FixStyle(setforce,FixSetForce) -FixStyle(shake,FixShake) -FixStyle(SHEAR_HISTORY,FixShearHistory) -FixStyle(spring,FixSpring) -FixStyle(spring/rg,FixSpringRG) -FixStyle(spring/self,FixSpringSelf) -FixStyle(store/coord,FixStoreCoord) -FixStyle(store/force,FixStoreForce) -FixStyle(temp/berendsen,FixTempBerendsen) -FixStyle(temp/rescale,FixTempRescale) -FixStyle(thermal/conductivity,FixThermalConductivity) -FixStyle(tmd,FixTMD) -FixStyle(ttm,FixTTM) -FixStyle(viscosity,FixViscosity) -FixStyle(viscous,FixViscous) -FixStyle(wall/harmonic,FixWallHarmonic) -FixStyle(wall/lj126,FixWallLJ126) -FixStyle(wall/lj93,FixWallLJ93) -FixStyle(wall/reflect,FixWallReflect) -FixStyle(wall/region,FixWallRegion) -#endif - -#ifdef ImproperInclude -#endif - -#ifdef ImproperClass -#endif - -#ifdef IntegrateInclude -#include "respa.h" -#include "verlet.h" -#endif - -#ifdef IntegrateClass -IntegrateStyle(respa,Respa) -IntegrateStyle(verlet,Verlet) -# endif - -#ifdef KSpaceInclude -#endif - -#ifdef KSpaceClass -#endif - -#ifdef MinimizeInclude -#include "min_cg.h" -#include "min_hftn.h" -#include "min_sd.h" -#endif - -#ifdef MinimizeClass -MinimizeStyle(cg,MinCG) -MinimizeStyle(hftn,MinHFTN) -MinimizeStyle(sd,MinSD) -# endif - -#ifdef PairInclude -#include "pair_buck.h" -#include "pair_buck_coul_cut.h" -#include "pair_coul_cut.h" -#include "pair_coul_debye.h" -#include "pair_dpd.h" -#include "pair_hybrid.h" -#include "pair_hybrid_overlay.h" -#include "pair_lj_cut.h" -#include "pair_lj_cut_coul_cut.h" -#include "pair_lj_cut_coul_debye.h" -#include "pair_lj_expand.h" -#include "pair_lj_gromacs.h" -#include "pair_lj_gromacs_coul_gromacs.h" -#include "pair_lj_smooth.h" -#include "pair_lj96_cut.h" -#include "pair_morse.h" -#include "pair_soft.h" -#include "pair_table.h" -#include "pair_yukawa.h" -#endif - -#ifdef PairClass -PairStyle(buck,PairBuck) -PairStyle(buck/coul/cut,PairBuckCoulCut) -PairStyle(coul/cut,PairCoulCut) -PairStyle(coul/debye,PairCoulDebye) -PairStyle(dpd,PairDPD) -PairStyle(hybrid,PairHybrid) -PairStyle(hybrid/overlay,PairHybridOverlay) -PairStyle(lj/cut,PairLJCut) -PairStyle(lj/cut/coul/cut,PairLJCutCoulCut) -PairStyle(lj/cut/coul/debye,PairLJCutCoulDebye) -PairStyle(lj/expand,PairLJExpand) -PairStyle(lj/gromacs,PairLJGromacs) -PairStyle(lj/gromacs/coul/gromacs,PairLJGromacsCoulGromacs) -PairStyle(lj/smooth,PairLJSmooth) -PairStyle(lj96/cut,PairLJ96Cut) -PairStyle(morse,PairMorse) -PairStyle(soft,PairSoft) -PairStyle(table,PairTable) -PairStyle(yukawa,PairYukawa) -#endif - -#ifdef RegionInclude -#include "region_block.h" -#include "region_cone.h" -#include "region_cylinder.h" -#include "region_intersect.h" -#include "region_plane.h" -#include "region_prism.h" -#include "region_sphere.h" -#include "region_union.h" -#endif - -#ifdef RegionClass -RegionStyle(block,RegBlock) -RegionStyle(cone,RegCone) -RegionStyle(cylinder,RegCylinder) -RegionStyle(intersect,RegIntersect) -RegionStyle(plane,RegPlane) -RegionStyle(prism,RegPrism) -RegionStyle(sphere,RegSphere) -RegionStyle(union,RegUnion) -#endif - -// package and user add-ons - -#include "style_packages.h" -#include "style_user.h" -#include "style_user_packages.h" diff --git a/src/style_asphere.h b/src/style_asphere.h deleted file mode 100644 index 70dba98aa4..0000000000 --- a/src/style_asphere.h +++ /dev/null @@ -1,52 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_ellipsoid.h" -#endif - -#ifdef AtomClass -AtomStyle(ellipsoid,AtomVecEllipsoid) -# endif - -#ifdef ComputeInclude -#include "compute_erotate_asphere.h" -#include "compute_temp_asphere.h" -#endif - -#ifdef ComputeClass -ComputeStyle(erotate/asphere,ComputeERotateAsphere) -ComputeStyle(temp/asphere,ComputeTempAsphere) -#endif - -#ifdef FixInclude -#include "fix_nve_asphere.h" -#include "fix_nvt_asphere.h" -#include "fix_npt_asphere.h" -#endif - -#ifdef FixClass -FixStyle(nve/asphere,FixNVEAsphere) -FixStyle(nvt/asphere,FixNVTAsphere) -FixStyle(npt/asphere,FixNPTAsphere) -#endif - -#ifdef PairInclude -#include "pair_gayberne.h" -#include "pair_resquared.h" -#endif - -#ifdef PairClass -PairStyle(gayberne,PairGayBerne) -PairStyle(resquared,PairRESquared) -#endif diff --git a/src/style_class2.h b/src/style_class2.h deleted file mode 100644 index 3ba9b32df4..0000000000 --- a/src/style_class2.h +++ /dev/null @@ -1,56 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_class2.h" -#endif - -#ifdef AngleClass -AngleStyle(class2,AngleClass2) -#endif - -#ifdef BondInclude -#include "bond_class2.h" -#endif - -#ifdef BondClass -BondStyle(class2,BondClass2) -#endif - -#ifdef DihedralInclude -#include "dihedral_class2.h" -#endif - -#ifdef DihedralClass -DihedralStyle(class2,DihedralClass2) -#endif - -#ifdef ImproperInclude -#include "improper_class2.h" -#endif - -#ifdef ImproperClass -ImproperStyle(class2,ImproperClass2) -#endif - -#ifdef PairInclude -#include "pair_lj_class2.h" -#include "pair_lj_class2_coul_cut.h" -#include "pair_lj_class2_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(lj/class2,PairLJClass2) -PairStyle(lj/class2/coul/cut,PairLJClass2CoulCut) -PairStyle(lj/class2/coul/long,PairLJClass2CoulLong) -#endif diff --git a/src/style_colloid.h b/src/style_colloid.h deleted file mode 100644 index d5864a0c5f..0000000000 --- a/src/style_colloid.h +++ /dev/null @@ -1,40 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_colloid.h" -#endif - -#ifdef AtomClass -AtomStyle(colloid,AtomVecColloid) -#endif - -#ifdef FixInclude -#include "fix_wall_colloid.h" -#endif - -#ifdef FixClass -FixStyle(wall/colloid,FixWallColloid) -#endif - -#ifdef PairInclude -#include "pair_colloid.h" -#include "pair_lubricate.h" -#include "pair_yukawa_colloid.h" -#endif - -#ifdef PairClass -PairStyle(colloid,PairColloid) -PairStyle(lubricate,PairLubricate) -PairStyle(yukawa/colloid,PairYukawaColloid) -#endif diff --git a/src/style_dipole.h b/src/style_dipole.h deleted file mode 100644 index 4708beb13c..0000000000 --- a/src/style_dipole.h +++ /dev/null @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - www.cs.sandia.gov/~sjplimp/lammps.html - Steve Plimpton, sjplimp@sandia.gov, Sandia National Laboratories - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_dipole.h" -#endif - -#ifdef AtomClass -AtomStyle(dipole,AtomVecDipole) -#endif - -#ifdef PairInclude -#include "pair_dipole_cut.h" -#endif - -#ifdef PairClass -PairStyle(dipole/cut,PairDipoleCut) -#endif diff --git a/src/style_dpd.h b/src/style_dpd.h deleted file mode 100644 index 8ce617c0c2..0000000000 --- a/src/style_dpd.h +++ /dev/null @@ -1,28 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_dpd.h" -#endif - -#ifdef AtomClass -AtomStyle(dpd,AtomVecDPD) -#endif - -#ifdef PairInclude -#include "pair_dpd.h" -#endif - -#ifdef PairClass -PairStyle(dpd,PairDPD) -#endif diff --git a/src/style_granular.h b/src/style_granular.h deleted file mode 100644 index e219d61ef3..0000000000 --- a/src/style_granular.h +++ /dev/null @@ -1,46 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AtomInclude -#include "atom_vec_granular.h" -#endif - -#ifdef AtomClass -AtomStyle(granular,AtomVecGranular) -# endif - -#ifdef FixInclude -#include "fix_freeze.h" -#include "fix_pour.h" -#include "fix_shear_history.h" -#include "fix_wall_gran.h" -#endif - -#ifdef FixClass -FixStyle(freeze,FixFreeze) -FixStyle(pour,FixPour) -FixStyle(SHEAR_HISTORY,FixShearHistory) -FixStyle(wall/gran,FixWallGran) -#endif - -#ifdef PairInclude -#include "pair_gran_hertz_history.h" -#include "pair_gran_hooke.h" -#include "pair_gran_hooke_history.h" -#endif - -#ifdef PairClass -PairStyle(gran/hertz/history,PairGranHertzHistory) -PairStyle(gran/hooke,PairGranHooke) -PairStyle(gran/hooke/history,PairGranHookeHistory) -#endif diff --git a/src/style_kspace.h b/src/style_kspace.h deleted file mode 100644 index 1c75a94e75..0000000000 --- a/src/style_kspace.h +++ /dev/null @@ -1,42 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef KSpaceInclude -#include "ewald.h" -#include "pppm.h" -#include "pppm_tip4p.h" -#endif - -#ifdef KSpaceClass -KSpaceStyle(ewald,Ewald) -KSpaceStyle(pppm,PPPM) -KSpaceStyle(pppm/tip4p,PPPMTIP4P) -#endif - -#ifdef PairInclude -#include "pair_born_coul_long.h" -#include "pair_buck_coul_long.h" -#include "pair_coul_long.h" -#include "pair_lj_cut_coul_long.h" -#include "pair_lj_cut_coul_long_tip4p.h" -#include "pair_lj_charmm_coul_long.h" -#endif - -#ifdef PairClass -PairStyle(born/coul/long,PairBornCoulLong) -PairStyle(buck/coul/long,PairBuckCoulLong) -PairStyle(coul/long,PairCoulLong) -PairStyle(lj/cut/coul/long,PairLJCutCoulLong) -PairStyle(lj/cut/coul/long/tip4p,PairLJCutCoulLongTIP4P) -PairStyle(lj/charmm/coul/long,PairLJCharmmCoulLong) -#endif diff --git a/src/style_manybody.h b/src/style_manybody.h deleted file mode 100644 index 18cd907008..0000000000 --- a/src/style_manybody.h +++ /dev/null @@ -1,32 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_airebo.h" -#include "pair_eam.h" -#include "pair_eam_alloy.h" -#include "pair_eam_fs.h" -#include "pair_sw.h" -#include "pair_tersoff.h" -#include "pair_tersoff_zbl.h" -#endif - -#ifdef PairClass -PairStyle(airebo,PairAIREBO) -PairStyle(eam,PairEAM) -PairStyle(eam/alloy,PairEAMAlloy) -PairStyle(eam/fs,PairEAMFS) -PairStyle(sw,PairSW) -PairStyle(tersoff,PairTersoff) -PairStyle(tersoff/zbl,PairTersoffZBL) -#endif diff --git a/src/style_meam.h b/src/style_meam.h deleted file mode 100644 index 221a363f11..0000000000 --- a/src/style_meam.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_meam.h" -#endif - -#ifdef PairClass -PairStyle(meam,PairMEAM) -#endif diff --git a/src/style_molecule.h b/src/style_molecule.h deleted file mode 100644 index cc4e57483b..0000000000 --- a/src/style_molecule.h +++ /dev/null @@ -1,120 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef AngleInclude -#include "angle_charmm.h" -#include "angle_cosine.h" -#include "angle_cosine_delta.h" -#include "angle_cosine_squared.h" -#include "angle_harmonic.h" -#include "angle_hybrid.h" -#include "angle_table.h" -#endif - -#ifdef AngleClass -AngleStyle(charmm,AngleCharmm) -AngleStyle(cosine,AngleCosine) -AngleStyle(cosine/delta,AngleCosineDelta) -AngleStyle(cosine/squared,AngleCosineSquared) -AngleStyle(harmonic,AngleHarmonic) -AngleStyle(hybrid,AngleHybrid) -AngleStyle(table,AngleTable) -#endif - -#ifdef AtomInclude -#include "atom_vec_angle.h" -#include "atom_vec_bond.h" -#include "atom_vec_full.h" -#include "atom_vec_molecular.h" -#endif - -#ifdef AtomClass -AtomStyle(angle,AtomVecAngle) -AtomStyle(bond,AtomVecBond) -AtomStyle(full,AtomVecFull) -AtomStyle(molecular,AtomVecMolecular) -#endif - -#ifdef BondInclude -#include "bond_fene.h" -#include "bond_fene_expand.h" -#include "bond_harmonic.h" -#include "bond_hybrid.h" -#include "bond_morse.h" -#include "bond_nonlinear.h" -#include "bond_quartic.h" -#include "bond_table.h" -#endif - -#ifdef BondClass -BondStyle(fene,BondFENE) -BondStyle(fene/expand,BondFENEExpand) -BondStyle(harmonic,BondHarmonic) -BondStyle(hybrid,BondHybrid) -BondStyle(morse,BondMorse) -BondStyle(nonlinear,BondNonlinear) -BondStyle(quartic,BondQuartic) -BondStyle(table,BondTable) -#endif - -#ifdef DihedralInclude -#include "dihedral_charmm.h" -#include "dihedral_harmonic.h" -#include "dihedral_helix.h" -#include "dihedral_hybrid.h" -#include "dihedral_multi_harmonic.h" -#include "dihedral_opls.h" -#endif - -#ifdef DihedralClass -DihedralStyle(charmm,DihedralCharmm) -DihedralStyle(harmonic,DihedralHarmonic) -DihedralStyle(helix,DihedralHelix) -DihedralStyle(hybrid,DihedralHybrid) -DihedralStyle(multi/harmonic,DihedralMultiHarmonic) -DihedralStyle(opls,DihedralOPLS) -#endif - -#ifdef FixInclude -#include "fix_bond_break.h" -#include "fix_bond_create.h" -#include "fix_bond_swap.h" -#endif - -#ifdef FixClass -FixStyle(bond/break,FixBondBreak) -FixStyle(bond/create,FixBondCreate) -FixStyle(bond/swap,FixBondSwap) -#endif - -#ifdef ImproperInclude -#include "improper_cvff.h" -#include "improper_harmonic.h" -#include "improper_hybrid.h" -#endif - -#ifdef ImproperClass -ImproperStyle(cvff,ImproperCvff) -ImproperStyle(harmonic,ImproperHarmonic) -ImproperStyle(hybrid,ImproperHybrid) -#endif - -#ifdef PairInclude -#include "pair_lj_charmm_coul_charmm.h" -#include "pair_lj_charmm_coul_charmm_implicit.h" -#endif - -#ifdef PairClass -PairStyle(lj/charmm/coul/charmm,PairLJCharmmCoulCharmm) -PairStyle(lj/charmm/coul/charmm/implicit,PairLJCharmmCoulCharmmImplicit) -#endif diff --git a/src/style_opt.h b/src/style_opt.h deleted file mode 100644 index 061816e136..0000000000 --- a/src/style_opt.h +++ /dev/null @@ -1,30 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef PairInclude -#include "pair_eam_opt.h" -#include "pair_eam_alloy_opt.h" -#include "pair_eam_fs_opt.h" -#include "pair_lj_charmm_coul_long_opt.h" -#include "pair_lj_cut_opt.h" -#include "pair_morse_opt.h" -#endif - -#ifdef PairClass -PairStyle(eam/opt,PairEAMOpt) -PairStyle(eam/alloy/opt,PairEAMAlloyOpt) -PairStyle(eam/fs/opt,PairEAMFSOpt) -PairStyle(lj/cut/opt,PairLJCutOpt) -PairStyle(lj/charmm/coul/long/opt,PairLJCharmmCoulLongOpt) -PairStyle(morse/opt,PairMorseOpt) -#endif diff --git a/src/style_packages.h b/src/style_packages.h deleted file mode 100644 index 1983238f37..0000000000 --- a/src/style_packages.h +++ /dev/null @@ -1,32 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -// style files for standard packages - -#include "style_asphere.h" -#include "style_class2.h" -#include "style_colloid.h" -#include "style_dipole.h" -#include "style_dsmc.h" -#include "style_gpu.h" -#include "style_granular.h" -#include "style_kspace.h" -#include "style_manybody.h" -#include "style_meam.h" -#include "style_molecule.h" -#include "style_opt.h" -#include "style_peri.h" -#include "style_poems.h" -#include "style_prd.h" -#include "style_reax.h" -#include "style_xtc.h" diff --git a/src/style_poems.h b/src/style_poems.h deleted file mode 100644 index 0434d02bf8..0000000000 --- a/src/style_poems.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef FixInclude -#include "fix_poems.h" -#endif - -#ifdef FixClass -FixStyle(poems,FixPOEMS) -#endif diff --git a/src/style_user.h b/src/style_user.h deleted file mode 100644 index cb024f6ee9..0000000000 --- a/src/style_user.h +++ /dev/null @@ -1,101 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -// add a style class to LAMMPS by adding 2 lines to this file -// add new include files in appropriate Include ifdef -// add new style keywords and class names in appropriate Class ifdef -// see style.h for examples - -#ifdef AngleInclude -#endif - -#ifdef AngleClass -#endif - -#ifdef AtomInclude -#endif - -#ifdef AtomClass -#endif - -#ifdef BondInclude -#endif - -#ifdef BondClass -#endif - -#ifdef CommandInclude -#endif - -#ifdef CommandClass -#endif - -#ifdef ComputeInclude -#endif - -#ifdef ComputeClass -#endif - -#ifdef DihedralInclude -#endif - -#ifdef DihedralClass -#endif - -#ifdef DumpInclude -#endif - -#ifdef DumpClass -#endif - -#ifdef FixInclude -#endif - -#ifdef FixClass -#endif - -#ifdef ImproperInclude -#endif - -#ifdef ImproperClass -#endif - -#ifdef IntegrateInclude -#endif - -#ifdef IntegrateClass -# endif - -#ifdef KSpaceInclude -#endif - -#ifdef KSpaceClass -#endif - -#ifdef MinimizeInclude -#endif - -#ifdef MinimizeClass -#endif - -#ifdef PairInclude -#endif - -#ifdef PairClass -#endif - -#ifdef RegionInclude -#endif - -#ifdef RegionClass -#endif diff --git a/src/style_user_ackland.h b/src/style_user_ackland.h deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/src/style_user_ewaldn.h b/src/style_user_ewaldn.h deleted file mode 100644 index e69de29bb2..0000000000 diff --git a/src/style_user_packages.h b/src/style_user_packages.h deleted file mode 100644 index 87603c7b9b..0000000000 --- a/src/style_user_packages.h +++ /dev/null @@ -1,23 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -// style flies for user-contributed packages -// see the README files in individual user-package directories for details - -#include "style_user_ackland.h" -#include "style_user_atc.h" -#include "style_user_cd_eam.h" -#include "style_user_cg_cmm.h" -#include "style_user_ewaldn.h" -#include "style_user_imd.h" -#include "style_user_smd.h" diff --git a/src/style_xtc.h b/src/style_xtc.h deleted file mode 100644 index 7110dda312..0000000000 --- a/src/style_xtc.h +++ /dev/null @@ -1,20 +0,0 @@ -/* ---------------------------------------------------------------------- - LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator - http://lammps.sandia.gov, Sandia National Laboratories - Steve Plimpton, sjplimp@sandia.gov - - Copyright (2003) Sandia Corporation. Under the terms of Contract - DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains - certain rights in this software. This software is distributed under - the GNU General Public License. - - See the README file in the top-level LAMMPS directory. -------------------------------------------------------------------------- */ - -#ifdef DumpInclude -#include "dump_xtc.h" -#endif - -#ifdef DumpClass -DumpStyle(xtc,DumpXTC) -#endif diff --git a/src/temper.h b/src/temper.h index 7b6d92c7ff..bf26434213 100644 --- a/src/temper.h +++ b/src/temper.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef TEMPER_H -#define TEMPER_H +#ifdef COMMAND_CLASS + +CommandStyle(temper,Temper) + +#else + +#ifndef LMP_TEMPER_H +#define LMP_TEMPER_H #include "pointers.h" @@ -50,3 +56,4 @@ class Temper : protected Pointers { } #endif +#endif diff --git a/src/thermo.h b/src/thermo.h index 06bb96416e..3e49247f07 100644 --- a/src/thermo.h +++ b/src/thermo.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef THERMO_H -#define THERMO_H +#ifndef LMP_THERMO_H +#define LMP_THERMO_H #include "pointers.h" diff --git a/src/timer.h b/src/timer.h index f151425d62..95851dfd23 100644 --- a/src/timer.h +++ b/src/timer.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef TIMER_H -#define TIMER_H +#ifndef LMP_TIMER_H +#define LMP_TIMER_H #include "pointers.h" diff --git a/src/universe.h b/src/universe.h index 6a0a855bd3..ab508af37c 100644 --- a/src/universe.h +++ b/src/universe.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef UNIVERSE_H -#define UNIVERSE_H +#ifndef LMP_UNIVERSE_H +#define LMP_UNIVERSE_H #include "mpi.h" #include "stdio.h" diff --git a/src/update.cpp b/src/update.cpp index 0665031684..c6a26b9d14 100644 --- a/src/update.cpp +++ b/src/update.cpp @@ -14,6 +14,8 @@ #include "string.h" #include "stdlib.h" #include "update.h" +#include "style_integrate.h" +#include "style_minimize.h" #include "neighbor.h" #include "force.h" #include "modify.h" @@ -25,12 +27,6 @@ #include "memory.h" #include "error.h" -#define IntegrateInclude -#define MinimizeInclude -#include "style.h" -#undef IntegrateInclude -#undef MinimizeInclude - using namespace LAMMPS_NS; /* ---------------------------------------------------------------------- */ @@ -183,11 +179,11 @@ void Update::create_integrate(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define IntegrateClass +#define INTEGRATE_CLASS #define IntegrateStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) integrate = new Class(lmp,narg-1,&arg[1]); -#include "style.h" -#undef IntegrateClass +#include "style_integrate.h" +#undef INTEGRATE_CLASS else error->all("Illegal run_style command"); @@ -207,11 +203,11 @@ void Update::create_minimize(int narg, char **arg) if (0) return; // dummy line to enable else-if macro expansion -#define MinimizeClass +#define MINIMIZE_CLASS #define MinimizeStyle(key,Class) \ else if (strcmp(arg[0],#key) == 0) minimize = new Class(lmp); -#include "style.h" -#undef MinimizeClass +#include "style_minimize.h" +#undef MINIMIZE_CLASS else error->all("Illegal min_style command"); diff --git a/src/update.h b/src/update.h index d0d55c5cbe..7b16ee3e92 100644 --- a/src/update.h +++ b/src/update.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef UPDATE_H -#define UPDATE_H +#ifndef LMP_UPDATE_H +#define LMP_UPDATE_H #include "pointers.h" diff --git a/src/variable.h b/src/variable.h index 6afe3bf8a3..a45391dd8a 100644 --- a/src/variable.h +++ b/src/variable.h @@ -11,8 +11,8 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VARIABLE_H -#define VARIABLE_H +#ifndef LMP_VARIABLE_H +#define LMP_VARIABLE_H #include "pointers.h" diff --git a/src/velocity.h b/src/velocity.h index 26a3cb9fca..3401663c2d 100644 --- a/src/velocity.h +++ b/src/velocity.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VELOCITY_H -#define VELOCITY_H +#ifdef COMMAND_CLASS + +CommandStyle(velocity,Velocity) + +#else + +#ifndef LMP_VELOCITY_H +#define LMP_VELOCITY_H #include "pointers.h" @@ -46,3 +52,4 @@ class Velocity : protected Pointers { } #endif +#endif diff --git a/src/verlet.h b/src/verlet.h index fc857d16e9..de57b4dbc0 100644 --- a/src/verlet.h +++ b/src/verlet.h @@ -11,8 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ -#ifndef VERLET_H -#define VERLET_H +#ifdef INTEGRATE_CLASS + +IntegrateStyle(verlet,Verlet) + +#else + +#ifndef LMP_VERLET_H +#define LMP_VERLET_H #include "integrate.h" @@ -37,3 +43,4 @@ class Verlet : public Integrate { } #endif +#endif diff --git a/src/write_restart.h b/src/write_restart.h index b8929c168b..c73af2becc 100644 --- a/src/write_restart.h +++ b/src/write_restart.h @@ -11,9 +11,14 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +#ifdef COMMAND_CLASS -#ifndef WRITE_RESTART_H -#define WRITE_RESTART_H +CommandStyle(write_restart,WriteRestart) + +#else + +#ifndef LMP_WRITE_RESTART_H +#define LMP_WRITE_RESTART_H #include "stdio.h" #include "pointers.h" @@ -43,3 +48,4 @@ class WriteRestart : protected Pointers { } #endif +#endif -- GitLab