From 4a975dd8cf0792d83237a3825782955bec16cece Mon Sep 17 00:00:00 2001 From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa> Date: Mon, 19 Jan 2015 23:49:20 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12957 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/ASPHERE/pair_gayberne.cpp | 2 +- src/ASPHERE/pair_line_lj.cpp | 2 +- src/ASPHERE/pair_resquared.cpp | 2 +- src/ASPHERE/pair_tri_lj.cpp | 2 +- src/BODY/pair_body.cpp | 2 +- src/CLASS2/pair_lj_class2_coul_cut.cpp | 2 +- src/CLASS2/pair_lj_class2_coul_long.cpp | 2 +- src/COLLOID/pair_yukawa_colloid.cpp | 2 +- src/DIPOLE/pair_lj_cut_dipole_cut.cpp | 2 +- src/DIPOLE/pair_lj_cut_dipole_long.cpp | 2 +- src/DIPOLE/pair_lj_long_dipole_long.cpp | 2 +- src/FLD/pair_brownian.cpp | 2 +- src/FLD/pair_brownian_poly.cpp | 2 +- src/FLD/pair_lubricate.cpp | 2 +- src/FLD/pair_lubricateU.cpp | 2 +- src/FLD/pair_lubricateU_poly.cpp | 2 +- src/FLD/pair_lubricate_poly.cpp | 2 +- src/GPU/pair_beck_gpu.cpp | 2 +- src/GPU/pair_born_coul_long_gpu.cpp | 2 +- src/GPU/pair_born_coul_wolf_gpu.cpp | 2 +- src/GPU/pair_born_gpu.cpp | 2 +- src/GPU/pair_buck_coul_cut_gpu.cpp | 2 +- src/GPU/pair_buck_coul_long_gpu.cpp | 2 +- src/GPU/pair_buck_gpu.cpp | 2 +- src/GPU/pair_colloid_gpu.cpp | 2 +- src/GPU/pair_coul_cut_gpu.cpp | 2 +- src/GPU/pair_coul_debye_gpu.cpp | 2 +- src/GPU/pair_coul_dsf_gpu.cpp | 2 +- src/GPU/pair_coul_long_gpu.cpp | 2 +- src/GPU/pair_dpd_gpu.cpp | 2 +- src/GPU/pair_dpd_tstat_gpu.cpp | 2 +- src/GPU/pair_eam_gpu.cpp | 2 +- src/GPU/pair_gauss_gpu.cpp | 2 +- src/GPU/pair_gayberne_gpu.cpp | 2 +- src/GPU/pair_lj96_cut_gpu.cpp | 2 +- src/GPU/pair_lj_charmm_coul_long_gpu.cpp | 2 +- src/GPU/pair_lj_class2_coul_long_gpu.cpp | 2 +- src/GPU/pair_lj_class2_gpu.cpp | 2 +- src/GPU/pair_lj_cut_coul_cut_gpu.cpp | 2 +- src/GPU/pair_lj_cut_coul_debye_gpu.cpp | 2 +- src/GPU/pair_lj_cut_coul_dsf_gpu.cpp | 2 +- src/GPU/pair_lj_cut_coul_long_gpu.cpp | 2 +- src/GPU/pair_lj_cut_coul_msm_gpu.cpp | 2 +- src/GPU/pair_lj_cut_dipole_cut_gpu.cpp | 2 +- src/GPU/pair_lj_cut_gpu.cpp | 2 +- src/GPU/pair_lj_expand_gpu.cpp | 2 +- src/GPU/pair_lj_gromacs_gpu.cpp | 2 +- src/GPU/pair_lj_sdk_coul_long_gpu.cpp | 2 +- src/GPU/pair_lj_sdk_gpu.cpp | 2 +- src/GPU/pair_lj_sf_dipole_sf_gpu.cpp | 2 +- src/GPU/pair_mie_cut_gpu.cpp | 2 +- src/GPU/pair_morse_gpu.cpp | 2 +- src/GPU/pair_resquared_gpu.cpp | 2 +- src/GPU/pair_soft_gpu.cpp | 2 +- src/GPU/pair_sw_gpu.cpp | 2 +- src/GPU/pair_table_gpu.cpp | 2 +- src/GPU/pair_yukawa_colloid_gpu.cpp | 2 +- src/GPU/pair_yukawa_gpu.cpp | 2 +- src/GRANULAR/pair_gran_hooke_history.cpp | 4 ++-- src/KIM/pair_kim.cpp | 2 +- src/KOKKOS/pair_table_kokkos.cpp | 2 +- src/KSPACE/pair_born_coul_long.cpp | 2 +- src/KSPACE/pair_buck_coul_long.cpp | 2 +- src/KSPACE/pair_buck_long_coul_long.cpp | 14 +++++++------- src/KSPACE/pair_coul_long.cpp | 2 +- src/KSPACE/pair_lj_charmm_coul_long.cpp | 14 +++++++------- src/KSPACE/pair_lj_cut_coul_long.cpp | 14 +++++++------- src/KSPACE/pair_lj_long_coul_long.cpp | 14 +++++++------- src/MANYBODY/pair_adp.cpp | 2 +- src/MANYBODY/pair_airebo.cpp | 2 +- src/MANYBODY/pair_bop.cpp | 2 +- src/MANYBODY/pair_comb.cpp | 2 +- src/MANYBODY/pair_comb3.cpp | 2 +- src/MANYBODY/pair_eam.cpp | 2 +- src/MANYBODY/pair_eim.cpp | 2 +- src/MANYBODY/pair_lcbop.cpp | 2 +- src/MANYBODY/pair_nb3b_harmonic.cpp | 2 +- src/MANYBODY/pair_sw.cpp | 2 +- src/MANYBODY/pair_tersoff.cpp | 2 +- src/MC/fix_bond_create.cpp | 2 +- src/MC/fix_bond_swap.cpp | 2 +- src/MEAM/pair_meam.cpp | 4 ++-- src/MISC/fix_orient_fcc.cpp | 2 +- src/MISC/pair_nm_cut_coul_cut.cpp | 2 +- src/MISC/pair_nm_cut_coul_long.cpp | 2 +- src/MOLECULE/pair_hbond_dreiding_lj.cpp | 2 +- src/MOLECULE/pair_hbond_dreiding_morse.cpp | 2 +- src/MOLECULE/pair_lj_charmm_coul_charmm.cpp | 2 +- src/MOLECULE/pair_lj_cut_tip4p_cut.cpp | 2 +- src/MOLECULE/pair_tip4p_cut.cpp | 2 +- src/PERI/fix_peri_neigh.cpp | 2 +- src/PERI/pair_peri_eps.cpp | 2 +- src/PERI/pair_peri_lps.cpp | 2 +- src/PERI/pair_peri_pmb.cpp | 2 +- src/PERI/pair_peri_ves.cpp | 2 +- src/QEQ/fix_qeq_dynamic.cpp | 2 +- src/QEQ/fix_qeq_point.cpp | 2 +- src/QEQ/fix_qeq_shielded.cpp | 2 +- src/QEQ/fix_qeq_slater.cpp | 2 +- src/REAX/pair_reax.cpp | 2 +- src/SNAP/compute_sna_atom.cpp | 2 +- src/SNAP/compute_snad_atom.cpp | 2 +- src/SNAP/compute_snav_atom.cpp | 2 +- src/SNAP/pair_snap.cpp | 2 +- src/USER-ATC/fix_atc.cpp | 2 +- src/USER-AWPMD/pair_awpmd_cut.cpp | 4 ++-- src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp | 2 +- src/USER-CUDA/pair_born_coul_long_cuda.cpp | 2 +- src/USER-CUDA/pair_buck_coul_cut_cuda.cpp | 2 +- src/USER-CUDA/pair_buck_coul_long_cuda.cpp | 2 +- src/USER-CUDA/pair_buck_cuda.cpp | 2 +- src/USER-CUDA/pair_eam_cuda.cpp | 2 +- src/USER-CUDA/pair_gran_hooke_cuda.cpp | 2 +- src/USER-CUDA/pair_lj96_cut_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp | 2 +- .../pair_lj_charmm_coul_charmm_implicit_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_class2_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp | 14 +++++++------- src/USER-CUDA/pair_lj_cut_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_expand_cuda.cpp | 2 +- .../pair_lj_gromacs_coul_gromacs_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_gromacs_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_sdk_cuda.cpp | 2 +- src/USER-CUDA/pair_lj_smooth_cuda.cpp | 2 +- src/USER-CUDA/pair_morse_cuda.cpp | 2 +- src/USER-CUDA/pair_sw_cuda.cpp | 2 +- src/USER-CUDA/pair_tersoff_cuda.cpp | 2 +- src/USER-EFF/pair_eff_cut.cpp | 2 +- src/USER-FEP/pair_coul_cut_soft.cpp | 2 +- src/USER-FEP/pair_coul_long_soft.cpp | 2 +- src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp | 14 +++++++------- src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp | 2 +- src/USER-FEP/pair_lj_cut_coul_long_soft.cpp | 14 +++++++------- src/USER-FEP/pair_lj_cut_soft.cpp | 14 +++++++------- src/USER-MISC/compute_ackland_atom.cpp | 2 +- src/USER-MISC/compute_basal_atom.cpp | 2 +- src/USER-MISC/pair_coul_diel.cpp | 2 +- src/USER-MISC/pair_edip.cpp | 2 +- src/USER-MISC/pair_lj_sf_dipole_sf.cpp | 2 +- src/USER-MISC/pair_meam_spline.cpp | 4 ++-- src/USER-MISC/pair_meam_sw_spline.cpp | 4 ++-- src/USER-MISC/pair_srp.cpp | 2 +- src/USER-MISC/pair_tersoff_table.cpp | 2 +- src/USER-OMP/fix_peri_neigh_omp.cpp | 2 +- src/USER-OMP/fix_qeq_comb_omp.cpp | 2 +- src/USER-REAXC/fix_qeq_reax.cpp | 2 +- src/USER-REAXC/pair_reax_c.cpp | 2 +- src/USER-SPH/pair_sph_rhosum.cpp | 2 +- src/compute_centro_atom.cpp | 2 +- src/compute_cluster_atom.cpp | 2 +- src/compute_cna_atom.cpp | 2 +- src/compute_contact_atom.cpp | 2 +- src/compute_coord_atom.cpp | 2 +- src/compute_group_group.cpp | 2 +- src/compute_pair_local.cpp | 2 +- src/compute_property_local.cpp | 2 +- src/compute_rdf.cpp | 2 +- src/pair_born_coul_wolf.cpp | 2 +- src/pair_buck_coul_cut.cpp | 2 +- src/pair_coul_cut.cpp | 2 +- src/pair_coul_dsf.cpp | 2 +- src/pair_coul_wolf.cpp | 2 +- src/pair_dpd.cpp | 2 +- src/pair_lj96_cut.cpp | 14 +++++++------- src/pair_lj_cut_coul_cut.cpp | 2 +- src/pair_lj_cut_coul_dsf.cpp | 2 +- src/pair_lj_gromacs_coul_gromacs.cpp | 2 +- src/pair_mie_cut.cpp | 14 +++++++------- src/pair_zbl.cpp | 2 +- 176 files changed, 241 insertions(+), 241 deletions(-) diff --git a/src/ASPHERE/pair_gayberne.cpp b/src/ASPHERE/pair_gayberne.cpp index 289adef7f9..b22a4fc70f 100755 --- a/src/ASPHERE/pair_gayberne.cpp +++ b/src/ASPHERE/pair_gayberne.cpp @@ -350,7 +350,7 @@ void PairGayBerne::init_style() avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); if (!avec) error->all(FLERR,"Pair gayberne requires atom style ellipsoid"); - neighbor->request(this); + neighbor->request(this,instance_me); // per-type shape precalculations // require that atom shapes are identical within each type diff --git a/src/ASPHERE/pair_line_lj.cpp b/src/ASPHERE/pair_line_lj.cpp index 219a8ea971..7f97902c57 100644 --- a/src/ASPHERE/pair_line_lj.cpp +++ b/src/ASPHERE/pair_line_lj.cpp @@ -390,7 +390,7 @@ void PairLineLJ::init_style() avec = (AtomVecLine *) atom->style_match("line"); if (!avec) error->all(FLERR,"Pair line/lj requires atom style line"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp index 9764fe61dd..adf8c54660 100755 --- a/src/ASPHERE/pair_resquared.cpp +++ b/src/ASPHERE/pair_resquared.cpp @@ -321,7 +321,7 @@ void PairRESquared::init_style() avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid"); if (!avec) error->all(FLERR,"Pair resquared requires atom style ellipsoid"); - neighbor->request(this); + neighbor->request(this,instance_me); // per-type shape precalculations // require that atom shapes are identical within each type diff --git a/src/ASPHERE/pair_tri_lj.cpp b/src/ASPHERE/pair_tri_lj.cpp index 72e6588a24..257341e602 100644 --- a/src/ASPHERE/pair_tri_lj.cpp +++ b/src/ASPHERE/pair_tri_lj.cpp @@ -474,7 +474,7 @@ void PairTriLJ::init_style() avec = (AtomVecTri *) atom->style_match("tri"); if (!avec) error->all(FLERR,"Pair tri/lj requires atom style tri"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/BODY/pair_body.cpp b/src/BODY/pair_body.cpp index 494bc49243..4d565e0ed1 100644 --- a/src/BODY/pair_body.cpp +++ b/src/BODY/pair_body.cpp @@ -423,7 +423,7 @@ void PairBody::init_style() error->all(FLERR,"Pair body requires body style nparticle"); bptr = (BodyNparticle *) avec->bptr; - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/CLASS2/pair_lj_class2_coul_cut.cpp b/src/CLASS2/pair_lj_class2_coul_cut.cpp index b4ede4e976..7f851fd239 100644 --- a/src/CLASS2/pair_lj_class2_coul_cut.cpp +++ b/src/CLASS2/pair_lj_class2_coul_cut.cpp @@ -253,7 +253,7 @@ void PairLJClass2CoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/class2/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/CLASS2/pair_lj_class2_coul_long.cpp b/src/CLASS2/pair_lj_class2_coul_long.cpp index 60c3ca7e04..2460515b98 100644 --- a/src/CLASS2/pair_lj_class2_coul_long.cpp +++ b/src/CLASS2/pair_lj_class2_coul_long.cpp @@ -287,7 +287,7 @@ void PairLJClass2CoulLong::init_style() error->all(FLERR, "Pair style lj/class2/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/COLLOID/pair_yukawa_colloid.cpp b/src/COLLOID/pair_yukawa_colloid.cpp index b0b33c46eb..13d632526f 100644 --- a/src/COLLOID/pair_yukawa_colloid.cpp +++ b/src/COLLOID/pair_yukawa_colloid.cpp @@ -126,7 +126,7 @@ void PairYukawaColloid::init_style() if (!atom->sphere_flag) error->all(FLERR,"Pair yukawa/colloid requires atom style sphere"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type diff --git a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp index b0c247b667..d874348718 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_cut.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_cut.cpp @@ -361,7 +361,7 @@ void PairLJCutDipoleCut::init_style() if (!atom->q_flag || !atom->mu_flag || !atom->torque_flag) error->all(FLERR,"Pair dipole/cut requires atom attributes q, mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/DIPOLE/pair_lj_cut_dipole_long.cpp b/src/DIPOLE/pair_lj_cut_dipole_long.cpp index 2796b54ac1..60190ce905 100755 --- a/src/DIPOLE/pair_lj_cut_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_cut_dipole_long.cpp @@ -456,7 +456,7 @@ void PairLJCutDipoleLong::init_style() cut_coulsq = cut_coul * cut_coul; - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/DIPOLE/pair_lj_long_dipole_long.cpp b/src/DIPOLE/pair_lj_long_dipole_long.cpp index b476cfceee..7253dd3c13 100755 --- a/src/DIPOLE/pair_lj_long_dipole_long.cpp +++ b/src/DIPOLE/pair_lj_long_dipole_long.cpp @@ -240,7 +240,7 @@ void PairLJLongDipoleLong::init_style() if (!atom->torque && (ewald_order&(1<<3))) error->all(FLERR,"Pair lj/long/dipole/long requires atom attributes mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/FLD/pair_brownian.cpp b/src/FLD/pair_brownian.cpp index 47281b4c42..3aa96288ba 100755 --- a/src/FLD/pair_brownian.cpp +++ b/src/FLD/pair_brownian.cpp @@ -463,7 +463,7 @@ void PairBrownian::init_style() "Pair brownian needs newton pair on for " "momentum conservation"); - neighbor->request(this); + neighbor->request(this,instance_me); // insure all particles are finite-size // for pair hybrid, should limit test to types using the pair style diff --git a/src/FLD/pair_brownian_poly.cpp b/src/FLD/pair_brownian_poly.cpp index 6c18f87f0b..c0a958ea7d 100644 --- a/src/FLD/pair_brownian_poly.cpp +++ b/src/FLD/pair_brownian_poly.cpp @@ -345,7 +345,7 @@ void PairBrownianPoly::init_style() if (radius[i] == 0.0) error->one(FLERR,"Pair brownian/poly requires extended particles"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/FLD/pair_lubricate.cpp b/src/FLD/pair_lubricate.cpp index 7feb915e67..79046e445d 100755 --- a/src/FLD/pair_lubricate.cpp +++ b/src/FLD/pair_lubricate.cpp @@ -543,7 +543,7 @@ void PairLubricate::init_style() if (comm->ghost_velocity == 0) error->all(FLERR,"Pair lubricate requires ghost atoms store velocity"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type // require monodisperse system with same radii for all types diff --git a/src/FLD/pair_lubricateU.cpp b/src/FLD/pair_lubricateU.cpp index 2a4bbf7fe0..66e9ab1400 100644 --- a/src/FLD/pair_lubricateU.cpp +++ b/src/FLD/pair_lubricateU.cpp @@ -1773,7 +1773,7 @@ void PairLubricateU::init_style() if (comm->ghost_velocity == 0) error->all(FLERR,"Pair lubricateU requires ghost atoms store velocity"); - neighbor->request(this); + neighbor->request(this,instance_me); // require that atom radii are identical within each type // require monodisperse system with same radii for all types diff --git a/src/FLD/pair_lubricateU_poly.cpp b/src/FLD/pair_lubricateU_poly.cpp index f78d149522..02734c058b 100644 --- a/src/FLD/pair_lubricateU_poly.cpp +++ b/src/FLD/pair_lubricateU_poly.cpp @@ -1228,7 +1228,7 @@ void PairLubricateUPoly::init_style() RS0 = 20.0/3.0*MY_PI*mu*(1.0 + 3.64*vol_f - 6.95*vol_f*vol_f); } - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/FLD/pair_lubricate_poly.cpp b/src/FLD/pair_lubricate_poly.cpp index 5d1b5b8da0..937c5a315a 100644 --- a/src/FLD/pair_lubricate_poly.cpp +++ b/src/FLD/pair_lubricate_poly.cpp @@ -446,7 +446,7 @@ void PairLubricatePoly::init_style() if (radius[i] == 0.0) error->one(FLERR,"Pair lubricate/poly requires extended particles"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/GPU/pair_beck_gpu.cpp b/src/GPU/pair_beck_gpu.cpp index 6f52b3eb8a..614c088b03 100644 --- a/src/GPU/pair_beck_gpu.cpp +++ b/src/GPU/pair_beck_gpu.cpp @@ -155,7 +155,7 @@ void PairBeckGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_coul_long_gpu.cpp b/src/GPU/pair_born_coul_long_gpu.cpp index b774665e97..cabdaeeeaa 100644 --- a/src/GPU/pair_born_coul_long_gpu.cpp +++ b/src/GPU/pair_born_coul_long_gpu.cpp @@ -190,7 +190,7 @@ void PairBornCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_coul_wolf_gpu.cpp b/src/GPU/pair_born_coul_wolf_gpu.cpp index 05debf4ef7..5d09b0325f 100644 --- a/src/GPU/pair_born_coul_wolf_gpu.cpp +++ b/src/GPU/pair_born_coul_wolf_gpu.cpp @@ -175,7 +175,7 @@ void PairBornCoulWolfGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_born_gpu.cpp b/src/GPU/pair_born_gpu.cpp index 4b33535334..4df91fde15 100644 --- a/src/GPU/pair_born_gpu.cpp +++ b/src/GPU/pair_born_gpu.cpp @@ -159,7 +159,7 @@ void PairBornGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_coul_cut_gpu.cpp b/src/GPU/pair_buck_coul_cut_gpu.cpp index 1afba42531..e00fb88c02 100644 --- a/src/GPU/pair_buck_coul_cut_gpu.cpp +++ b/src/GPU/pair_buck_coul_cut_gpu.cpp @@ -163,7 +163,7 @@ void PairBuckCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_coul_long_gpu.cpp b/src/GPU/pair_buck_coul_long_gpu.cpp index caa45e6537..108596c319 100644 --- a/src/GPU/pair_buck_coul_long_gpu.cpp +++ b/src/GPU/pair_buck_coul_long_gpu.cpp @@ -184,7 +184,7 @@ void PairBuckCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_buck_gpu.cpp b/src/GPU/pair_buck_gpu.cpp index a30164bac7..de64bfd90c 100644 --- a/src/GPU/pair_buck_gpu.cpp +++ b/src/GPU/pair_buck_gpu.cpp @@ -156,7 +156,7 @@ void PairBuckGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_colloid_gpu.cpp b/src/GPU/pair_colloid_gpu.cpp index 77dbdb344b..1b164df8f6 100644 --- a/src/GPU/pair_colloid_gpu.cpp +++ b/src/GPU/pair_colloid_gpu.cpp @@ -168,7 +168,7 @@ void PairColloidGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_cut_gpu.cpp b/src/GPU/pair_coul_cut_gpu.cpp index fb0edafae0..04345b9209 100644 --- a/src/GPU/pair_coul_cut_gpu.cpp +++ b/src/GPU/pair_coul_cut_gpu.cpp @@ -161,7 +161,7 @@ void PairCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_debye_gpu.cpp b/src/GPU/pair_coul_debye_gpu.cpp index e4aa503dca..19ae6b3162 100644 --- a/src/GPU/pair_coul_debye_gpu.cpp +++ b/src/GPU/pair_coul_debye_gpu.cpp @@ -163,7 +163,7 @@ void PairCoulDebyeGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_dsf_gpu.cpp b/src/GPU/pair_coul_dsf_gpu.cpp index 3fd13ccad0..8b5985e8c6 100644 --- a/src/GPU/pair_coul_dsf_gpu.cpp +++ b/src/GPU/pair_coul_dsf_gpu.cpp @@ -180,7 +180,7 @@ void PairCoulDSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_coul_long_gpu.cpp b/src/GPU/pair_coul_long_gpu.cpp index 76ee538da4..9bc5286078 100644 --- a/src/GPU/pair_coul_long_gpu.cpp +++ b/src/GPU/pair_coul_long_gpu.cpp @@ -170,7 +170,7 @@ void PairCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_dpd_gpu.cpp b/src/GPU/pair_dpd_gpu.cpp index 552e598f4c..dacdaa5e56 100644 --- a/src/GPU/pair_dpd_gpu.cpp +++ b/src/GPU/pair_dpd_gpu.cpp @@ -303,7 +303,7 @@ void PairDPDGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_dpd_tstat_gpu.cpp b/src/GPU/pair_dpd_tstat_gpu.cpp index 84fdf43665..b5233027f9 100644 --- a/src/GPU/pair_dpd_tstat_gpu.cpp +++ b/src/GPU/pair_dpd_tstat_gpu.cpp @@ -320,7 +320,7 @@ void PairDPDTstatGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_eam_gpu.cpp b/src/GPU/pair_eam_gpu.cpp index adb8590038..c9aba74c25 100644 --- a/src/GPU/pair_eam_gpu.cpp +++ b/src/GPU/pair_eam_gpu.cpp @@ -181,7 +181,7 @@ void PairEAMGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_gauss_gpu.cpp b/src/GPU/pair_gauss_gpu.cpp index 2065c927fd..c7b47131a6 100644 --- a/src/GPU/pair_gauss_gpu.cpp +++ b/src/GPU/pair_gauss_gpu.cpp @@ -153,7 +153,7 @@ void PairGaussGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp index d696033341..75191f9313 100644 --- a/src/GPU/pair_gayberne_gpu.cpp +++ b/src/GPU/pair_gayberne_gpu.cpp @@ -203,7 +203,7 @@ void PairGayBerneGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj96_cut_gpu.cpp b/src/GPU/pair_lj96_cut_gpu.cpp index e870643fb4..7dacbf68bc 100644 --- a/src/GPU/pair_lj96_cut_gpu.cpp +++ b/src/GPU/pair_lj96_cut_gpu.cpp @@ -155,7 +155,7 @@ void PairLJ96CutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp index 52266d840c..da9974e7f9 100644 --- a/src/GPU/pair_lj_charmm_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_charmm_coul_long_gpu.cpp @@ -201,7 +201,7 @@ void PairLJCharmmCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.cpp b/src/GPU/pair_lj_class2_coul_long_gpu.cpp index 1bff038864..1ec4f5aa83 100644 --- a/src/GPU/pair_lj_class2_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_class2_coul_long_gpu.cpp @@ -180,7 +180,7 @@ void PairLJClass2CoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_class2_gpu.cpp b/src/GPU/pair_lj_class2_gpu.cpp index 9b97abfd6f..b34fc60700 100644 --- a/src/GPU/pair_lj_class2_gpu.cpp +++ b/src/GPU/pair_lj_class2_gpu.cpp @@ -152,7 +152,7 @@ void PairLJClass2GPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp index 6c79c66117..9a964e3668 100644 --- a/src/GPU/pair_lj_cut_coul_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_cut_gpu.cpp @@ -164,7 +164,7 @@ void PairLJCutCoulCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp index e5e6f087db..724d0d9d03 100644 --- a/src/GPU/pair_lj_cut_coul_debye_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_debye_gpu.cpp @@ -167,7 +167,7 @@ void PairLJCutCoulDebyeGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp index 22de6bd186..954b89d770 100644 --- a/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_dsf_gpu.cpp @@ -182,7 +182,7 @@ void PairLJCutCoulDSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.cpp b/src/GPU/pair_lj_cut_coul_long_gpu.cpp index 166649f6d9..d800759d7f 100644 --- a/src/GPU/pair_lj_cut_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_long_gpu.cpp @@ -189,7 +189,7 @@ void PairLJCutCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp index 4918d1eee3..4972ce57b1 100644 --- a/src/GPU/pair_lj_cut_coul_msm_gpu.cpp +++ b/src/GPU/pair_lj_cut_coul_msm_gpu.cpp @@ -176,7 +176,7 @@ void PairLJCutCoulMSMGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp index 351873e4e7..348fe44b24 100755 --- a/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_dipole_cut_gpu.cpp @@ -169,7 +169,7 @@ void PairLJCutDipoleCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_cut_gpu.cpp b/src/GPU/pair_lj_cut_gpu.cpp index 6d0556bb31..39c95df5b6 100644 --- a/src/GPU/pair_lj_cut_gpu.cpp +++ b/src/GPU/pair_lj_cut_gpu.cpp @@ -159,7 +159,7 @@ void PairLJCutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_expand_gpu.cpp b/src/GPU/pair_lj_expand_gpu.cpp index 20185905e3..1bafd362bd 100644 --- a/src/GPU/pair_lj_expand_gpu.cpp +++ b/src/GPU/pair_lj_expand_gpu.cpp @@ -156,7 +156,7 @@ void PairLJExpandGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_gromacs_gpu.cpp b/src/GPU/pair_lj_gromacs_gpu.cpp index 1b0a52a4cc..ca71a49314 100644 --- a/src/GPU/pair_lj_gromacs_gpu.cpp +++ b/src/GPU/pair_lj_gromacs_gpu.cpp @@ -160,7 +160,7 @@ void PairLJGromacsGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp index 1d35384a73..426b5dfae9 100644 --- a/src/GPU/pair_lj_sdk_coul_long_gpu.cpp +++ b/src/GPU/pair_lj_sdk_coul_long_gpu.cpp @@ -194,7 +194,7 @@ void PairLJSDKCoulLongGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sdk_gpu.cpp b/src/GPU/pair_lj_sdk_gpu.cpp index fab7682542..e19860d607 100644 --- a/src/GPU/pair_lj_sdk_gpu.cpp +++ b/src/GPU/pair_lj_sdk_gpu.cpp @@ -161,7 +161,7 @@ void PairLJSDKGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp index c5db426651..81ec6c1d02 100755 --- a/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp +++ b/src/GPU/pair_lj_sf_dipole_sf_gpu.cpp @@ -168,7 +168,7 @@ void PairLJSFDipoleSFGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_mie_cut_gpu.cpp b/src/GPU/pair_mie_cut_gpu.cpp index 1b0be6cbfb..3a6334f85e 100644 --- a/src/GPU/pair_mie_cut_gpu.cpp +++ b/src/GPU/pair_mie_cut_gpu.cpp @@ -156,7 +156,7 @@ void PairMIECutGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_morse_gpu.cpp b/src/GPU/pair_morse_gpu.cpp index feacd1d25e..ad2b3b0b37 100644 --- a/src/GPU/pair_morse_gpu.cpp +++ b/src/GPU/pair_morse_gpu.cpp @@ -152,7 +152,7 @@ void PairMorseGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp index e500785d4a..f26883376c 100644 --- a/src/GPU/pair_resquared_gpu.cpp +++ b/src/GPU/pair_resquared_gpu.cpp @@ -201,7 +201,7 @@ void PairRESquaredGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_soft_gpu.cpp b/src/GPU/pair_soft_gpu.cpp index 71729cf3d2..b36d5d27be 100644 --- a/src/GPU/pair_soft_gpu.cpp +++ b/src/GPU/pair_soft_gpu.cpp @@ -157,7 +157,7 @@ void PairSoftGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_sw_gpu.cpp b/src/GPU/pair_sw_gpu.cpp index 1a395f2875..70e271122d 100644 --- a/src/GPU/pair_sw_gpu.cpp +++ b/src/GPU/pair_sw_gpu.cpp @@ -201,7 +201,7 @@ void PairSWGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/GPU/pair_table_gpu.cpp b/src/GPU/pair_table_gpu.cpp index 18772c82d0..6b1ca065c0 100644 --- a/src/GPU/pair_table_gpu.cpp +++ b/src/GPU/pair_table_gpu.cpp @@ -227,7 +227,7 @@ void PairTableGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_yukawa_colloid_gpu.cpp b/src/GPU/pair_yukawa_colloid_gpu.cpp index 7c1d8dd55b..febdc33040 100644 --- a/src/GPU/pair_yukawa_colloid_gpu.cpp +++ b/src/GPU/pair_yukawa_colloid_gpu.cpp @@ -162,7 +162,7 @@ void PairYukawaColloidGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GPU/pair_yukawa_gpu.cpp b/src/GPU/pair_yukawa_gpu.cpp index df384e6207..5e4a0dc778 100644 --- a/src/GPU/pair_yukawa_gpu.cpp +++ b/src/GPU/pair_yukawa_gpu.cpp @@ -154,7 +154,7 @@ void PairYukawaGPU::init_style() GPU_EXTRA::check_flag(success,error,world); if (gpu_mode == GPU_FORCE) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/GRANULAR/pair_gran_hooke_history.cpp b/src/GRANULAR/pair_gran_hooke_history.cpp index fddba13a97..9c09dcddc4 100644 --- a/src/GRANULAR/pair_gran_hooke_history.cpp +++ b/src/GRANULAR/pair_gran_hooke_history.cpp @@ -408,11 +408,11 @@ void PairGranHookeHistory::init_style() // need a granular neigh list and optionally a granular history neigh list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; if (history) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->granhistory = 1; diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp index 5319276d1e..082e1ee4bb 100644 --- a/src/KIM/pair_kim.cpp +++ b/src/KIM/pair_kim.cpp @@ -415,7 +415,7 @@ void PairKIM::init_style() // request none, half, or full neighbor list // depending on KIM model requirement - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); if (kim_model_using_cluster) { neighbor->requests[irequest]->half = 0; diff --git a/src/KOKKOS/pair_table_kokkos.cpp b/src/KOKKOS/pair_table_kokkos.cpp index c8c2f50902..dfd6787c95 100644 --- a/src/KOKKOS/pair_table_kokkos.cpp +++ b/src/KOKKOS/pair_table_kokkos.cpp @@ -1249,7 +1249,7 @@ void *PairTableKokkos<DeviceType>::extract(const char *str, int &dim) template<class DeviceType> void PairTableKokkos<DeviceType>::init_style() { - neighbor->request(this); + neighbor->request(this,instance_me); neighflag = lmp->kokkos->neighflag; int irequest = neighbor->nrequest - 1; diff --git a/src/KSPACE/pair_born_coul_long.cpp b/src/KSPACE/pair_born_coul_long.cpp index 1c83e0a4b0..35b8b517e5 100644 --- a/src/KSPACE/pair_born_coul_long.cpp +++ b/src/KSPACE/pair_born_coul_long.cpp @@ -380,7 +380,7 @@ void PairBornCoulLong::init_style() error->all(FLERR,"Pair style requires a KSpace style"); g_ewald = force->kspace->g_ewald; - neighbor->request(this); + neighbor->request(this,instance_me); // setup force tables diff --git a/src/KSPACE/pair_buck_coul_long.cpp b/src/KSPACE/pair_buck_coul_long.cpp index d49da2dea9..7db7211908 100644 --- a/src/KSPACE/pair_buck_coul_long.cpp +++ b/src/KSPACE/pair_buck_coul_long.cpp @@ -357,7 +357,7 @@ void PairBuckCoulLong::init_style() error->all(FLERR,"Pair style requires a KSpace style"); g_ewald = force->kspace->g_ewald; - neighbor->request(this); + neighbor->request(this,instance_me); // setup force tables diff --git a/src/KSPACE/pair_buck_long_coul_long.cpp b/src/KSPACE/pair_buck_long_coul_long.cpp index 342a6c5ed8..3b86921854 100644 --- a/src/KSPACE/pair_buck_long_coul_long.cpp +++ b/src/KSPACE/pair_buck_long_coul_long.cpp @@ -243,32 +243,32 @@ void PairBuckLongCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); } cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_coul_long.cpp b/src/KSPACE/pair_coul_long.cpp index a0f7d3ee24..84c4854deb 100644 --- a/src/KSPACE/pair_coul_long.cpp +++ b/src/KSPACE/pair_coul_long.cpp @@ -237,7 +237,7 @@ void PairCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_lj_charmm_coul_long.cpp b/src/KSPACE/pair_lj_charmm_coul_long.cpp index 96f9cfd89c..a92d175cc2 100644 --- a/src/KSPACE/pair_lj_charmm_coul_long.cpp +++ b/src/KSPACE/pair_lj_charmm_coul_long.cpp @@ -717,32 +717,32 @@ void PairLJCharmmCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj diff --git a/src/KSPACE/pair_lj_cut_coul_long.cpp b/src/KSPACE/pair_lj_cut_coul_long.cpp index 427012fa08..87a9c78b1f 100644 --- a/src/KSPACE/pair_lj_cut_coul_long.cpp +++ b/src/KSPACE/pair_lj_cut_coul_long.cpp @@ -664,32 +664,32 @@ void PairLJCutCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/KSPACE/pair_lj_long_coul_long.cpp b/src/KSPACE/pair_lj_long_coul_long.cpp index 32d962581f..06e77482d2 100644 --- a/src/KSPACE/pair_lj_long_coul_long.cpp +++ b/src/KSPACE/pair_lj_long_coul_long.cpp @@ -237,32 +237,32 @@ void PairLJLongCoulLong::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); } cut_coulsq = cut_coul * cut_coul; diff --git a/src/MANYBODY/pair_adp.cpp b/src/MANYBODY/pair_adp.cpp index d19ffd1ff1..369bcc8c9e 100644 --- a/src/MANYBODY/pair_adp.cpp +++ b/src/MANYBODY/pair_adp.cpp @@ -513,7 +513,7 @@ void PairADP::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_airebo.cpp b/src/MANYBODY/pair_airebo.cpp index 98db58ec40..c643bd3b9f 100644 --- a/src/MANYBODY/pair_airebo.cpp +++ b/src/MANYBODY/pair_airebo.cpp @@ -216,7 +216,7 @@ void PairAIREBO::init_style() // need a full neighbor list, including neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_bop.cpp b/src/MANYBODY/pair_bop.cpp index c6f5f4bfc8..1017e58b47 100644 --- a/src/MANYBODY/pair_bop.cpp +++ b/src/MANYBODY/pair_bop.cpp @@ -617,7 +617,7 @@ void PairBOP::init_style() // need a full neighbor list and neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_comb.cpp b/src/MANYBODY/pair_comb.cpp index 0d32eef0f9..be536e9794 100644 --- a/src/MANYBODY/pair_comb.cpp +++ b/src/MANYBODY/pair_comb.cpp @@ -542,7 +542,7 @@ void PairComb::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/MANYBODY/pair_comb3.cpp b/src/MANYBODY/pair_comb3.cpp index 2cc5afe574..8244df3bcc 100644 --- a/src/MANYBODY/pair_comb3.cpp +++ b/src/MANYBODY/pair_comb3.cpp @@ -266,7 +266,7 @@ void PairComb3::init_style() error->all(FLERR,"Pair style COMB3 requires atom attribute q"); // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_eam.cpp b/src/MANYBODY/pair_eam.cpp index f6d8f8c6db..f53b6a9e3f 100644 --- a/src/MANYBODY/pair_eam.cpp +++ b/src/MANYBODY/pair_eam.cpp @@ -401,7 +401,7 @@ void PairEAM::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_eim.cpp b/src/MANYBODY/pair_eim.cpp index 52706e2a65..9206229e9d 100644 --- a/src/MANYBODY/pair_eim.cpp +++ b/src/MANYBODY/pair_eim.cpp @@ -432,7 +432,7 @@ void PairEIM::init_style() file2array(); array2spline(); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MANYBODY/pair_lcbop.cpp b/src/MANYBODY/pair_lcbop.cpp index 4f9f897495..464f50cacb 100644 --- a/src/MANYBODY/pair_lcbop.cpp +++ b/src/MANYBODY/pair_lcbop.cpp @@ -188,7 +188,7 @@ void PairLCBOP::init_style() // need a full neighbor list, including neighbors of ghosts - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->ghost = 1; diff --git a/src/MANYBODY/pair_nb3b_harmonic.cpp b/src/MANYBODY/pair_nb3b_harmonic.cpp index b3512f5087..b42bb0e9a3 100644 --- a/src/MANYBODY/pair_nb3b_harmonic.cpp +++ b/src/MANYBODY/pair_nb3b_harmonic.cpp @@ -296,7 +296,7 @@ void PairNb3bHarmonic::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MANYBODY/pair_sw.cpp b/src/MANYBODY/pair_sw.cpp index 554d524f0d..a4b85177f2 100755 --- a/src/MANYBODY/pair_sw.cpp +++ b/src/MANYBODY/pair_sw.cpp @@ -306,7 +306,7 @@ void PairSW::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MANYBODY/pair_tersoff.cpp b/src/MANYBODY/pair_tersoff.cpp index 8982521939..1b921359e3 100755 --- a/src/MANYBODY/pair_tersoff.cpp +++ b/src/MANYBODY/pair_tersoff.cpp @@ -346,7 +346,7 @@ void PairTersoff::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MC/fix_bond_create.cpp b/src/MC/fix_bond_create.cpp index 6b1041a2da..9936729390 100755 --- a/src/MC/fix_bond_create.cpp +++ b/src/MC/fix_bond_create.cpp @@ -246,7 +246,7 @@ void FixBondCreate::init() // need a half neighbor list, built every Nevery steps - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/MC/fix_bond_swap.cpp b/src/MC/fix_bond_swap.cpp index aaa9befee5..448c164159 100644 --- a/src/MC/fix_bond_swap.cpp +++ b/src/MC/fix_bond_swap.cpp @@ -166,7 +166,7 @@ void FixBondSwap::init() // need a half neighbor list, built every Nevery steps - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/MEAM/pair_meam.cpp b/src/MEAM/pair_meam.cpp index 2c5bef0461..f3fbe0a70d 100644 --- a/src/MEAM/pair_meam.cpp +++ b/src/MEAM/pair_meam.cpp @@ -413,11 +413,11 @@ void PairMEAM::init_style() // need full and half neighbor list - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/MISC/fix_orient_fcc.cpp b/src/MISC/fix_orient_fcc.cpp index 1813b5dab6..b636af290d 100644 --- a/src/MISC/fix_orient_fcc.cpp +++ b/src/MISC/fix_orient_fcc.cpp @@ -212,7 +212,7 @@ void FixOrientFCC::init() // need a full neighbor list, built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/MISC/pair_nm_cut_coul_cut.cpp b/src/MISC/pair_nm_cut_coul_cut.cpp index 6b1d6c5428..33bddb5223 100644 --- a/src/MISC/pair_nm_cut_coul_cut.cpp +++ b/src/MISC/pair_nm_cut_coul_cut.cpp @@ -271,7 +271,7 @@ void PairNMCutCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style nm/cut/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/MISC/pair_nm_cut_coul_long.cpp b/src/MISC/pair_nm_cut_coul_long.cpp index b371e3c07d..b613b584c2 100644 --- a/src/MISC/pair_nm_cut_coul_long.cpp +++ b/src/MISC/pair_nm_cut_coul_long.cpp @@ -307,7 +307,7 @@ void PairNMCutCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style nm/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; // insure use of KSpace long-range solver, set g_ewald diff --git a/src/MOLECULE/pair_hbond_dreiding_lj.cpp b/src/MOLECULE/pair_hbond_dreiding_lj.cpp index af6385b39d..cfb2dfeb57 100644 --- a/src/MOLECULE/pair_hbond_dreiding_lj.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_lj.cpp @@ -438,7 +438,7 @@ void PairHbondDreidingLJ::init_style() // full neighbor list request - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MOLECULE/pair_hbond_dreiding_morse.cpp b/src/MOLECULE/pair_hbond_dreiding_morse.cpp index 7fda882302..f0b31b1baf 100644 --- a/src/MOLECULE/pair_hbond_dreiding_morse.cpp +++ b/src/MOLECULE/pair_hbond_dreiding_morse.cpp @@ -362,7 +362,7 @@ void PairHbondDreidingMorse::init_style() // full neighbor list request - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp index 390e21d331..430b805f0f 100644 --- a/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp +++ b/src/MOLECULE/pair_lj_charmm_coul_charmm.cpp @@ -284,7 +284,7 @@ void PairLJCharmmCoulCharmm::init_style() error->all(FLERR, "Pair style lj/charmm/coul/charmm requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj, cut_coul_inner < cut_coul diff --git a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp index f76e8260ce..3ba9ee7edb 100644 --- a/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp +++ b/src/MOLECULE/pair_lj_cut_tip4p_cut.cpp @@ -489,7 +489,7 @@ void PairLJCutTIP4PCut::init_style() if (force->angle == NULL) error->all(FLERR,"Must use an angle style with TIP4P potential"); - neighbor->request(this); + neighbor->request(this,instance_me); // set alpha parameter diff --git a/src/MOLECULE/pair_tip4p_cut.cpp b/src/MOLECULE/pair_tip4p_cut.cpp index cd344f2468..f6a0d0bb43 100644 --- a/src/MOLECULE/pair_tip4p_cut.cpp +++ b/src/MOLECULE/pair_tip4p_cut.cpp @@ -420,7 +420,7 @@ void PairTIP4PCut::init_style() if (force->angle == NULL) error->all(FLERR,"Must use an angle style with TIP4P potential"); - neighbor->request(this); + neighbor->request(this,instance_me); // set alpha parameter diff --git a/src/PERI/fix_peri_neigh.cpp b/src/PERI/fix_peri_neigh.cpp index 922986c302..1b79a4c60b 100644 --- a/src/PERI/fix_peri_neigh.cpp +++ b/src/PERI/fix_peri_neigh.cpp @@ -119,7 +119,7 @@ void FixPeriNeigh::init() // need a full neighbor list once - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/PERI/pair_peri_eps.cpp b/src/PERI/pair_peri_eps.cpp index b3f701ea12..1d9361a362 100644 --- a/src/PERI/pair_peri_eps.cpp +++ b/src/PERI/pair_peri_eps.cpp @@ -532,7 +532,7 @@ void PairPeriEPS::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_lps.cpp b/src/PERI/pair_peri_lps.cpp index 8020b6b9bd..00c7f3dc3f 100644 --- a/src/PERI/pair_peri_lps.cpp +++ b/src/PERI/pair_peri_lps.cpp @@ -453,7 +453,7 @@ void PairPeriLPS::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_pmb.cpp b/src/PERI/pair_peri_pmb.cpp index 77ca26d1e3..2b68a25227 100644 --- a/src/PERI/pair_peri_pmb.cpp +++ b/src/PERI/pair_peri_pmb.cpp @@ -387,7 +387,7 @@ void PairPeriPMB::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/PERI/pair_peri_ves.cpp b/src/PERI/pair_peri_ves.cpp index 243c050687..a7a39cdda7 100644 --- a/src/PERI/pair_peri_ves.cpp +++ b/src/PERI/pair_peri_ves.cpp @@ -512,7 +512,7 @@ void PairPeriVES::init_style() if (strcmp(modify->fix[i]->style,"PERI_NEIGH") == 0) ifix_peri = i; if (ifix_peri == -1) error->all(FLERR,"Fix peri neigh does not exist"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/QEQ/fix_qeq_dynamic.cpp b/src/QEQ/fix_qeq_dynamic.cpp index f52f9e0c54..5db7d28713 100644 --- a/src/QEQ/fix_qeq_dynamic.cpp +++ b/src/QEQ/fix_qeq_dynamic.cpp @@ -70,7 +70,7 @@ void FixQEqDynamic::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/dynamic group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 1; diff --git a/src/QEQ/fix_qeq_point.cpp b/src/QEQ/fix_qeq_point.cpp index 37194ba25a..2f9e31c2b3 100644 --- a/src/QEQ/fix_qeq_point.cpp +++ b/src/QEQ/fix_qeq_point.cpp @@ -51,7 +51,7 @@ void FixQEqPoint::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/point group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/QEQ/fix_qeq_shielded.cpp b/src/QEQ/fix_qeq_shielded.cpp index 0b6bfed0ef..394f457dc5 100644 --- a/src/QEQ/fix_qeq_shielded.cpp +++ b/src/QEQ/fix_qeq_shielded.cpp @@ -51,7 +51,7 @@ void FixQEqShielded::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/shielded group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 1; diff --git a/src/QEQ/fix_qeq_slater.cpp b/src/QEQ/fix_qeq_slater.cpp index acf3cc9f65..7c77c696e8 100644 --- a/src/QEQ/fix_qeq_slater.cpp +++ b/src/QEQ/fix_qeq_slater.cpp @@ -68,7 +68,7 @@ void FixQEqSlater::init() ngroup = group->count(igroup); if (ngroup == 0) error->all(FLERR,"Fix qeq/slater group has no atoms"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/REAX/pair_reax.cpp b/src/REAX/pair_reax.cpp index f73973ac66..dbf271131d 100644 --- a/src/REAX/pair_reax.cpp +++ b/src/REAX/pair_reax.cpp @@ -562,7 +562,7 @@ void PairREAX::init_style() if (strcmp(update->unit_style,"real") != 0 && comm->me == 0) error->warning(FLERR,"Not using real units with pair reax"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; FORTRAN(readc, READC)(); diff --git a/src/SNAP/compute_sna_atom.cpp b/src/SNAP/compute_sna_atom.cpp index 15640c5f7c..128eca00a9 100644 --- a/src/SNAP/compute_sna_atom.cpp +++ b/src/SNAP/compute_sna_atom.cpp @@ -147,7 +147,7 @@ void ComputeSNAAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/compute_snad_atom.cpp b/src/SNAP/compute_snad_atom.cpp index cb0f9e045c..51b0d5842a 100644 --- a/src/SNAP/compute_snad_atom.cpp +++ b/src/SNAP/compute_snad_atom.cpp @@ -141,7 +141,7 @@ void ComputeSNADAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/compute_snav_atom.cpp b/src/SNAP/compute_snav_atom.cpp index 4e1eaf130d..6394321eb4 100644 --- a/src/SNAP/compute_snav_atom.cpp +++ b/src/SNAP/compute_snav_atom.cpp @@ -144,7 +144,7 @@ void ComputeSNAVAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/SNAP/pair_snap.cpp b/src/SNAP/pair_snap.cpp index 7440630bc7..f7f15593ec 100644 --- a/src/SNAP/pair_snap.cpp +++ b/src/SNAP/pair_snap.cpp @@ -1453,7 +1453,7 @@ void PairSNAP::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; diff --git a/src/USER-ATC/fix_atc.cpp b/src/USER-ATC/fix_atc.cpp index 12d4a7c28d..ebf2b96088 100644 --- a/src/USER-ATC/fix_atc.cpp +++ b/src/USER-ATC/fix_atc.cpp @@ -564,7 +564,7 @@ int FixATC::modify_param(int narg, char** arg) void FixATC::init() { // Guarantee construction of full neighborlist - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-AWPMD/pair_awpmd_cut.cpp b/src/USER-AWPMD/pair_awpmd_cut.cpp index e9e763b84f..9813c15d59 100644 --- a/src/USER-AWPMD/pair_awpmd_cut.cpp +++ b/src/USER-AWPMD/pair_awpmd_cut.cpp @@ -548,7 +548,7 @@ void PairAWPMDCut::init_style() // need a half neigh list and optionally a granular history neigh list - //int irequest = neighbor->request(this); + //int irequest = neighbor->request(this,instance_me); //if (atom->tag_enable == 0) // error->all(FLERR,"Pair style reax requires atom IDs"); @@ -559,7 +559,7 @@ void PairAWPMDCut::init_style() //if (strcmp(update->unit_style,"real") != 0 && comm->me == 0) //error->warning(FLERR,"Not using real units with pair reax"); - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; if(force->e_mass==0. || force->hhmrr2e==0. || force->mvh2r==0.) diff --git a/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp b/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp index fd1cae0099..591a81fe53 100644 --- a/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp +++ b/src/USER-CG-CMM/pair_lj_sdk_coul_long.cpp @@ -361,7 +361,7 @@ void PairLJSDKCoulLong::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-CUDA/pair_born_coul_long_cuda.cpp b/src/USER-CUDA/pair_born_coul_long_cuda.cpp index ad0b4caac9..d01a5bf47f 100644 --- a/src/USER-CUDA/pair_born_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_born_coul_long_cuda.cpp @@ -138,7 +138,7 @@ void PairBornCoulLongCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp index 5259b0c50d..4291b82752 100644 --- a/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_buck_coul_cut_cuda.cpp @@ -131,7 +131,7 @@ void PairBuckCoulCutCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_coul_long_cuda.cpp b/src/USER-CUDA/pair_buck_coul_long_cuda.cpp index ce9ed568f2..8c8d667165 100644 --- a/src/USER-CUDA/pair_buck_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_buck_coul_long_cuda.cpp @@ -136,7 +136,7 @@ void PairBuckCoulLongCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_buck_cuda.cpp b/src/USER-CUDA/pair_buck_cuda.cpp index e42176cae6..bcb9314c5f 100644 --- a/src/USER-CUDA/pair_buck_cuda.cpp +++ b/src/USER-CUDA/pair_buck_cuda.cpp @@ -128,7 +128,7 @@ void PairBuckCuda::init_style() if (strstr(update->integrate_style,"respa")) error->all(FLERR,"Integrate Style Respa is not supported by pair style buck/coul/long/cuda"); - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_eam_cuda.cpp b/src/USER-CUDA/pair_eam_cuda.cpp index 5146500690..f3dcdd16f5 100644 --- a/src/USER-CUDA/pair_eam_cuda.cpp +++ b/src/USER-CUDA/pair_eam_cuda.cpp @@ -162,7 +162,7 @@ void PairEAMCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_gran_hooke_cuda.cpp b/src/USER-CUDA/pair_gran_hooke_cuda.cpp index ad64dbeef8..88cf2a2c28 100644 --- a/src/USER-CUDA/pair_gran_hooke_cuda.cpp +++ b/src/USER-CUDA/pair_gran_hooke_cuda.cpp @@ -151,7 +151,7 @@ void PairGranHookeCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; diff --git a/src/USER-CUDA/pair_lj96_cut_cuda.cpp b/src/USER-CUDA/pair_lj96_cut_cuda.cpp index 3f449de841..7edb722d36 100644 --- a/src/USER-CUDA/pair_lj96_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj96_cut_cuda.cpp @@ -141,7 +141,7 @@ void PairLJ96CutCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp index f9c0a928ec..3a0ad0e288 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_charmm_cuda.cpp @@ -136,7 +136,7 @@ void PairLJCharmmCoulCharmmCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp index 2b226af6b0..c2f2ca871f 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_charmm_implicit_cuda.cpp @@ -131,7 +131,7 @@ void PairLJCharmmCoulCharmmImplicitCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp index 08d83d32ef..b228bd6f41 100644 --- a/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_charmm_coul_long_cuda.cpp @@ -141,7 +141,7 @@ void PairLJCharmmCoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp b/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp index 20ec9bd1a7..01b6dc071f 100644 --- a/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_coul_cut_cuda.cpp @@ -126,7 +126,7 @@ void PairLJClass2CoulCutCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp index c02694c4f3..20f257ffea 100644 --- a/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_coul_long_cuda.cpp @@ -131,7 +131,7 @@ void PairLJClass2CoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_class2_cuda.cpp b/src/USER-CUDA/pair_lj_class2_cuda.cpp index 5dfb6ed65b..6b9f686c13 100644 --- a/src/USER-CUDA/pair_lj_class2_cuda.cpp +++ b/src/USER-CUDA/pair_lj_class2_cuda.cpp @@ -136,7 +136,7 @@ void PairLJClass2Cuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp index cf1fc7e9f0..3872be0d0e 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_cut_cuda.cpp @@ -126,7 +126,7 @@ void PairLJCutCoulCutCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp index 790565324e..43bcce68c9 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_debye_cuda.cpp @@ -127,7 +127,7 @@ void PairLJCutCoulDebyeCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp index 4185ba3a81..52397f9429 100644 --- a/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_coul_long_cuda.cpp @@ -135,26 +135,26 @@ void PairLJCutCoulLongCuda::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; @@ -163,7 +163,7 @@ void PairLJCutCoulLongCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_cuda.cpp b/src/USER-CUDA/pair_lj_cut_cuda.cpp index 34fbdfdf73..a5d4f47a51 100644 --- a/src/USER-CUDA/pair_lj_cut_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_cuda.cpp @@ -141,7 +141,7 @@ void PairLJCutCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp index 4700d609a5..f60aaa6f38 100644 --- a/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp +++ b/src/USER-CUDA/pair_lj_cut_experimental_cuda.cpp @@ -140,7 +140,7 @@ void PairLJCutExperimentalCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_expand_cuda.cpp b/src/USER-CUDA/pair_lj_expand_cuda.cpp index 6d3680a5b9..a102dea75a 100644 --- a/src/USER-CUDA/pair_lj_expand_cuda.cpp +++ b/src/USER-CUDA/pair_lj_expand_cuda.cpp @@ -143,7 +143,7 @@ void PairLJExpandCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp index 96973daacd..73df6a66cb 100644 --- a/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_coul_gromacs_cuda.cpp @@ -146,7 +146,7 @@ void PairLJGromacsCoulGromacsCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp index 6a0f965b20..b2786d81ab 100644 --- a/src/USER-CUDA/pair_lj_gromacs_cuda.cpp +++ b/src/USER-CUDA/pair_lj_gromacs_cuda.cpp @@ -142,7 +142,7 @@ void PairLJGromacsCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp b/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp index f953ed0df6..aca0f6d013 100644 --- a/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp +++ b/src/USER-CUDA/pair_lj_sdk_coul_long_cuda.cpp @@ -155,7 +155,7 @@ void PairLJSDKCoulLongCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_sdk_cuda.cpp b/src/USER-CUDA/pair_lj_sdk_cuda.cpp index f3c9f39cf3..f6eba1ba7b 100644 --- a/src/USER-CUDA/pair_lj_sdk_cuda.cpp +++ b/src/USER-CUDA/pair_lj_sdk_cuda.cpp @@ -150,7 +150,7 @@ void PairLJSDKCuda::init_style() { MYDBG(printf("# CUDA PairLJSDKCuda::init_style start\n"); ) - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_lj_smooth_cuda.cpp b/src/USER-CUDA/pair_lj_smooth_cuda.cpp index 89f4cc4b72..3a51e94fef 100644 --- a/src/USER-CUDA/pair_lj_smooth_cuda.cpp +++ b/src/USER-CUDA/pair_lj_smooth_cuda.cpp @@ -142,7 +142,7 @@ void PairLJSmoothCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_morse_cuda.cpp b/src/USER-CUDA/pair_morse_cuda.cpp index 6b39ccb08b..a38712aabe 100644 --- a/src/USER-CUDA/pair_morse_cuda.cpp +++ b/src/USER-CUDA/pair_morse_cuda.cpp @@ -140,7 +140,7 @@ void PairMorseCuda::init_style() } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_sw_cuda.cpp b/src/USER-CUDA/pair_sw_cuda.cpp index 534e14599e..1dfccc4e7b 100644 --- a/src/USER-CUDA/pair_sw_cuda.cpp +++ b/src/USER-CUDA/pair_sw_cuda.cpp @@ -168,7 +168,7 @@ void PairSWCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-CUDA/pair_tersoff_cuda.cpp b/src/USER-CUDA/pair_tersoff_cuda.cpp index 2d0aadb541..f22b551284 100644 --- a/src/USER-CUDA/pair_tersoff_cuda.cpp +++ b/src/USER-CUDA/pair_tersoff_cuda.cpp @@ -165,7 +165,7 @@ void PairTersoffCuda::init_style() int irequest; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->full = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->cudable = 1; diff --git a/src/USER-EFF/pair_eff_cut.cpp b/src/USER-EFF/pair_eff_cut.cpp index 06b5962316..d8635c10a9 100644 --- a/src/USER-EFF/pair_eff_cut.cpp +++ b/src/USER-EFF/pair_eff_cut.cpp @@ -878,7 +878,7 @@ void PairEffCut::init_style() // need a half neigh list and optionally a granular history neigh list - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_coul_cut_soft.cpp b/src/USER-FEP/pair_coul_cut_soft.cpp index 831f212c70..dbb63f19a2 100644 --- a/src/USER-FEP/pair_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_coul_cut_soft.cpp @@ -215,7 +215,7 @@ void PairCoulCutSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/cut/soft requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_coul_long_soft.cpp b/src/USER-FEP/pair_coul_long_soft.cpp index d396744005..be1d9a246c 100644 --- a/src/USER-FEP/pair_coul_long_soft.cpp +++ b/src/USER-FEP/pair_coul_long_soft.cpp @@ -233,7 +233,7 @@ void PairCoulLongSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/long requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp index 3ba892c1e1..ee24b36959 100644 --- a/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_charmm_coul_long_soft.cpp @@ -696,32 +696,32 @@ void PairLJCharmmCoulLongSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // require cut_lj_inner < cut_lj diff --git a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp index ac2e4b4af5..bf903072a8 100644 --- a/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_cut_soft.cpp @@ -267,7 +267,7 @@ void PairLJCutCoulCutSoft::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/cut/soft requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp index 5b60535218..516fdbf898 100644 --- a/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_coul_long_soft.cpp @@ -637,32 +637,32 @@ void PairLJCutCoulLongSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; diff --git a/src/USER-FEP/pair_lj_cut_soft.cpp b/src/USER-FEP/pair_lj_cut_soft.cpp index 8ec4a002fc..6329c2608f 100644 --- a/src/USER-FEP/pair_lj_cut_soft.cpp +++ b/src/USER-FEP/pair_lj_cut_soft.cpp @@ -516,32 +516,32 @@ void PairLJCutSoft::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/USER-MISC/compute_ackland_atom.cpp b/src/USER-MISC/compute_ackland_atom.cpp index df5161e75e..d768074aaa 100644 --- a/src/USER-MISC/compute_ackland_atom.cpp +++ b/src/USER-MISC/compute_ackland_atom.cpp @@ -71,7 +71,7 @@ void ComputeAcklandAtom::init() { // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-MISC/compute_basal_atom.cpp b/src/USER-MISC/compute_basal_atom.cpp index 6052642eb8..85a08d1838 100644 --- a/src/USER-MISC/compute_basal_atom.cpp +++ b/src/USER-MISC/compute_basal_atom.cpp @@ -69,7 +69,7 @@ void ComputeBasalAtom::init() { // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-MISC/pair_coul_diel.cpp b/src/USER-MISC/pair_coul_diel.cpp index 67c09e9b4f..a846aa53c6 100644 --- a/src/USER-MISC/pair_coul_diel.cpp +++ b/src/USER-MISC/pair_coul_diel.cpp @@ -219,7 +219,7 @@ void PairCoulDiel::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/diel requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_edip.cpp b/src/USER-MISC/pair_edip.cpp index e9a83ededc..c6eceb0cac 100755 --- a/src/USER-MISC/pair_edip.cpp +++ b/src/USER-MISC/pair_edip.cpp @@ -840,7 +840,7 @@ void PairEDIP::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp index f81a0062a9..58d7f4d61d 100755 --- a/src/USER-MISC/pair_lj_sf_dipole_sf.cpp +++ b/src/USER-MISC/pair_lj_sf_dipole_sf.cpp @@ -394,7 +394,7 @@ void PairLJSFDipoleSF::init_style() if (!atom->q_flag || !atom->mu_flag || !atom->torque_flag) error->all(FLERR,"Pair dipole/sf requires atom attributes q, mu, torque"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_meam_spline.cpp b/src/USER-MISC/pair_meam_spline.cpp index be0a8fdff8..26cd70509d 100644 --- a/src/USER-MISC/pair_meam_spline.cpp +++ b/src/USER-MISC/pair_meam_spline.cpp @@ -495,11 +495,11 @@ void PairMEAMSpline::init_style() error->all(FLERR,"Pair style meam/spline requires newton pair on"); // Need both full and half neighbor list. - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/USER-MISC/pair_meam_sw_spline.cpp b/src/USER-MISC/pair_meam_sw_spline.cpp index 9c275b9d4d..30613afab6 100644 --- a/src/USER-MISC/pair_meam_sw_spline.cpp +++ b/src/USER-MISC/pair_meam_sw_spline.cpp @@ -531,11 +531,11 @@ void PairMEAMSWSpline::init_style() error->all(FLERR,"Pair style meam/sw/spline requires newton pair on"); // Need both full and half neighbor list. - int irequest_full = neighbor->request(this); + int irequest_full = neighbor->request(this,instance_me); neighbor->requests[irequest_full]->id = 1; neighbor->requests[irequest_full]->half = 0; neighbor->requests[irequest_full]->full = 1; - int irequest_half = neighbor->request(this); + int irequest_half = neighbor->request(this,instance_me); neighbor->requests[irequest_half]->id = 2; neighbor->requests[irequest_half]->half = 0; neighbor->requests[irequest_half]->half_from_full = 1; diff --git a/src/USER-MISC/pair_srp.cpp b/src/USER-MISC/pair_srp.cpp index f32dc96e01..ec7730a1f2 100644 --- a/src/USER-MISC/pair_srp.cpp +++ b/src/USER-MISC/pair_srp.cpp @@ -457,7 +457,7 @@ void PairSRP::init_style() if (me == 0) error->message(FLERR,"Thermo normalization turned off by pair srp"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/USER-MISC/pair_tersoff_table.cpp b/src/USER-MISC/pair_tersoff_table.cpp index 1652385fcf..69c5057cea 100644 --- a/src/USER-MISC/pair_tersoff_table.cpp +++ b/src/USER-MISC/pair_tersoff_table.cpp @@ -821,7 +821,7 @@ void PairTersoffTable::init_style() // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/USER-OMP/fix_peri_neigh_omp.cpp b/src/USER-OMP/fix_peri_neigh_omp.cpp index 2aba2665ba..a5f78a7193 100644 --- a/src/USER-OMP/fix_peri_neigh_omp.cpp +++ b/src/USER-OMP/fix_peri_neigh_omp.cpp @@ -40,7 +40,7 @@ void FixPeriNeighOMP::init() // need a full neighbor list once - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/USER-OMP/fix_qeq_comb_omp.cpp b/src/USER-OMP/fix_qeq_comb_omp.cpp index 09a0f598af..7b2be715d3 100644 --- a/src/USER-OMP/fix_qeq_comb_omp.cpp +++ b/src/USER-OMP/fix_qeq_comb_omp.cpp @@ -77,7 +77,7 @@ void FixQEQCombOMP::init() if (fix->get_neighbor()) use_omp = 1; } - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->omp = use_omp; } diff --git a/src/USER-REAXC/fix_qeq_reax.cpp b/src/USER-REAXC/fix_qeq_reax.cpp index c6045bfe52..dfcd16316e 100644 --- a/src/USER-REAXC/fix_qeq_reax.cpp +++ b/src/USER-REAXC/fix_qeq_reax.cpp @@ -339,7 +339,7 @@ void FixQEqReax::init() // need a half neighbor list w/ Newton off and ghost neighbors // built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->fix = 1; neighbor->requests[irequest]->newton = 2; diff --git a/src/USER-REAXC/pair_reax_c.cpp b/src/USER-REAXC/pair_reax_c.cpp index a0f7045961..277d31ccf1 100644 --- a/src/USER-REAXC/pair_reax_c.cpp +++ b/src/USER-REAXC/pair_reax_c.cpp @@ -359,7 +359,7 @@ void PairReaxC::init_style( ) // need a half neighbor list w/ Newton off and ghost neighbors // built whenever re-neighboring occurs - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->newton = 2; neighbor->requests[irequest]->ghost = 1; diff --git a/src/USER-SPH/pair_sph_rhosum.cpp b/src/USER-SPH/pair_sph_rhosum.cpp index c4b4a8e115..db0749b2a2 100644 --- a/src/USER-SPH/pair_sph_rhosum.cpp +++ b/src/USER-SPH/pair_sph_rhosum.cpp @@ -56,7 +56,7 @@ PairSPHRhoSum::~PairSPHRhoSum() { void PairSPHRhoSum::init_style() { // need a full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->full = 1; } diff --git a/src/compute_centro_atom.cpp b/src/compute_centro_atom.cpp index a7f3e9fef0..0676ad0a4a 100644 --- a/src/compute_centro_atom.cpp +++ b/src/compute_centro_atom.cpp @@ -80,7 +80,7 @@ void ComputeCentroAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_cluster_atom.cpp b/src/compute_cluster_atom.cpp index 993a7dee78..343a0dd1bd 100644 --- a/src/compute_cluster_atom.cpp +++ b/src/compute_cluster_atom.cpp @@ -71,7 +71,7 @@ void ComputeClusterAtom::init() // need an occasional full neighbor list // full required so that pair of atoms on 2 procs both set their clusterID - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_cna_atom.cpp b/src/compute_cna_atom.cpp index 405f17b027..2bf33fec3d 100644 --- a/src/compute_cna_atom.cpp +++ b/src/compute_cna_atom.cpp @@ -92,7 +92,7 @@ void ComputeCNAAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_contact_atom.cpp b/src/compute_contact_atom.cpp index 5104dd0c19..8db5c3e4bd 100644 --- a/src/compute_contact_atom.cpp +++ b/src/compute_contact_atom.cpp @@ -71,7 +71,7 @@ void ComputeContactAtom::init() // need an occasional neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->gran = 1; neighbor->requests[irequest]->pair = 0; diff --git a/src/compute_coord_atom.cpp b/src/compute_coord_atom.cpp index 4efcae8356..beb03812b0 100644 --- a/src/compute_coord_atom.cpp +++ b/src/compute_coord_atom.cpp @@ -91,7 +91,7 @@ void ComputeCoordAtom::init() // need an occasional full neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->half = 0; diff --git a/src/compute_group_group.cpp b/src/compute_group_group.cpp index 22140f4497..900af68528 100644 --- a/src/compute_group_group.cpp +++ b/src/compute_group_group.cpp @@ -150,7 +150,7 @@ void ComputeGroupGroup::init() // need an occasional half neighbor list if (pairflag) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp index 0f138d531b..55a87bfb95 100644 --- a/src/compute_pair_local.cpp +++ b/src/compute_pair_local.cpp @@ -101,7 +101,7 @@ void ComputePairLocal::init() // need an occasional half neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_property_local.cpp b/src/compute_property_local.cpp index 7746420c10..c08d723cb2 100644 --- a/src/compute_property_local.cpp +++ b/src/compute_property_local.cpp @@ -260,7 +260,7 @@ void ComputePropertyLocal::init() // for NEIGH/PAIR need an occasional half neighbor list if (kindflag == NEIGH || kindflag == PAIR) { - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/compute_rdf.cpp b/src/compute_rdf.cpp index 0893d02328..7c5f433bb5 100644 --- a/src/compute_rdf.cpp +++ b/src/compute_rdf.cpp @@ -160,7 +160,7 @@ void ComputeRDF::init() // need an occasional half neighbor list - int irequest = neighbor->request(this); + int irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->pair = 0; neighbor->requests[irequest]->compute = 1; neighbor->requests[irequest]->occasional = 1; diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp index 6829401926..086d9ee576 100644 --- a/src/pair_born_coul_wolf.cpp +++ b/src/pair_born_coul_wolf.cpp @@ -284,7 +284,7 @@ void PairBornCoulWolf::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style born/coul/wolf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; } diff --git a/src/pair_buck_coul_cut.cpp b/src/pair_buck_coul_cut.cpp index ed5a24df02..0faf6a6f42 100644 --- a/src/pair_buck_coul_cut.cpp +++ b/src/pair_buck_coul_cut.cpp @@ -262,7 +262,7 @@ void PairBuckCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style buck/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_coul_cut.cpp b/src/pair_coul_cut.cpp index cd893a0d97..4a54f2f2a8 100644 --- a/src/pair_coul_cut.cpp +++ b/src/pair_coul_cut.cpp @@ -200,7 +200,7 @@ void PairCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_coul_dsf.cpp b/src/pair_coul_dsf.cpp index 09550cae11..0aba5548db 100644 --- a/src/pair_coul_dsf.cpp +++ b/src/pair_coul_dsf.cpp @@ -207,7 +207,7 @@ void PairCoulDSF::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style coul/dsf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; double erfcc = erfc(alpha*cut_coul); diff --git a/src/pair_coul_wolf.cpp b/src/pair_coul_wolf.cpp index 250a8bb1d4..799b672a4e 100644 --- a/src/pair_coul_wolf.cpp +++ b/src/pair_coul_wolf.cpp @@ -210,7 +210,7 @@ void PairCoulWolf::init_style() if (!atom->q_flag) error->all(FLERR,"Pair coul/wolf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul*cut_coul; } diff --git a/src/pair_dpd.cpp b/src/pair_dpd.cpp index c4da8efbe7..87af68d7fa 100644 --- a/src/pair_dpd.cpp +++ b/src/pair_dpd.cpp @@ -257,7 +257,7 @@ void PairDPD::init_style() if (force->newton_pair == 0 && comm->me == 0) error->warning(FLERR, "Pair dpd needs newton pair on for momentum conservation"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_lj96_cut.cpp b/src/pair_lj96_cut.cpp index 7e61b01583..d5e24be739 100644 --- a/src/pair_lj96_cut.cpp +++ b/src/pair_lj96_cut.cpp @@ -496,32 +496,32 @@ void PairLJ96Cut::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/pair_lj_cut_coul_cut.cpp b/src/pair_lj_cut_coul_cut.cpp index f3ee3d4a49..65e7aef5e2 100644 --- a/src/pair_lj_cut_coul_cut.cpp +++ b/src/pair_lj_cut_coul_cut.cpp @@ -252,7 +252,7 @@ void PairLJCutCoulCut::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/cut requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); } /* ---------------------------------------------------------------------- diff --git a/src/pair_lj_cut_coul_dsf.cpp b/src/pair_lj_cut_coul_dsf.cpp index 1fac1ef44f..4d3cbd9a45 100644 --- a/src/pair_lj_cut_coul_dsf.cpp +++ b/src/pair_lj_cut_coul_dsf.cpp @@ -268,7 +268,7 @@ void PairLJCutCoulDSF::init_style() if (!atom->q_flag) error->all(FLERR,"Pair style lj/cut/coul/dsf requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_coulsq = cut_coul * cut_coul; double erfcc = erfc(alpha*cut_coul); diff --git a/src/pair_lj_gromacs_coul_gromacs.cpp b/src/pair_lj_gromacs_coul_gromacs.cpp index fb7e36f925..5a78c4e140 100644 --- a/src/pair_lj_gromacs_coul_gromacs.cpp +++ b/src/pair_lj_gromacs_coul_gromacs.cpp @@ -274,7 +274,7 @@ void PairLJGromacsCoulGromacs::init_style() error->all(FLERR, "Pair style lj/gromacs/coul/gromacs requires atom attribute q"); - neighbor->request(this); + neighbor->request(this,instance_me); cut_lj_innersq = cut_lj_inner * cut_lj_inner; cut_ljsq = cut_lj * cut_lj; diff --git a/src/pair_mie_cut.cpp b/src/pair_mie_cut.cpp index 7657388d1f..0f7cb5eabe 100644 --- a/src/pair_mie_cut.cpp +++ b/src/pair_mie_cut.cpp @@ -505,32 +505,32 @@ void PairMIECut::init_style() if (((Respa *) update->integrate)->level_inner >= 0) respa = 1; if (((Respa *) update->integrate)->level_middle >= 0) respa = 2; - if (respa == 0) irequest = neighbor->request(this); + if (respa == 0) irequest = neighbor->request(this,instance_me); else if (respa == 1) { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } else { - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 1; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respainner = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 2; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respamiddle = 1; - irequest = neighbor->request(this); + irequest = neighbor->request(this,instance_me); neighbor->requests[irequest]->id = 3; neighbor->requests[irequest]->half = 0; neighbor->requests[irequest]->respaouter = 1; } - } else irequest = neighbor->request(this); + } else irequest = neighbor->request(this,instance_me); // set rRESPA cutoffs diff --git a/src/pair_zbl.cpp b/src/pair_zbl.cpp index 0adef4f40b..5c2f7c4fc2 100644 --- a/src/pair_zbl.cpp +++ b/src/pair_zbl.cpp @@ -236,7 +236,7 @@ void PairZBL::coeff(int narg, char **arg) void PairZBL::init_style() { - neighbor->request(this); + neighbor->request(this,instance_me); cut_innersq = cut_inner * cut_inner; cut_globalsq = cut_global * cut_global; -- GitLab