From 1217612ab63a56f2d98d88ca8ce476f7bf93190b Mon Sep 17 00:00:00 2001
From: sjplimp <sjplimp@f3b2605a-c512-4ea7-a41b-209d697bcdaa>
Date: Mon, 13 Feb 2012 15:33:29 +0000
Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7761
f3b2605a-c512-4ea7-a41b-209d697bcdaa
---
src/ASPHERE/compute_erotate_asphere.h | 2 +-
src/ASPHERE/compute_temp_asphere.h | 2 +-
src/ASPHERE/fix_nh_asphere.h | 2 +-
src/ASPHERE/fix_nve_asphere.h | 2 +-
src/ASPHERE/fix_nve_asphere_noforce.h | 4 +-
src/ASPHERE/fix_nve_line.h | 6 +-
src/ASPHERE/fix_nve_tri.cpp | 2 +-
src/ASPHERE/fix_nve_tri.h | 8 +--
src/ASPHERE/pair_gayberne.h | 6 +-
src/ASPHERE/pair_line_lj.h | 2 +-
src/ASPHERE/pair_resquared.cpp | 2 +-
src/ASPHERE/pair_resquared.h | 8 +--
src/ASPHERE/pair_tri_lj.h | 2 +-
src/CLASS2/dihedral_class2.h | 2 +-
src/CLASS2/improper_class2.h | 2 +-
src/COLLOID/fix_wall_colloid.h | 4 +-
src/COLLOID/pair_yukawa_colloid.h | 4 +-
src/DIPOLE/pair_dipole_cut.h | 2 +-
src/FLD/pair_brownian.h | 8 +--
src/FLD/pair_brownian_poly.h | 6 +-
src/FLD/pair_lubricate.h | 6 +-
src/FLD/pair_lubricateU.h | 6 +-
src/FLD/pair_lubricateU_poly.h | 8 +--
src/FLD/pair_lubricate_poly.h | 10 ++--
src/GPU/fix_gpu.h | 10 ++--
src/GPU/gpu_extra.h | 46 ++++++++++++++-
src/GPU/pair_buck_coul_cut_gpu.h | 9 +--
src/GPU/pair_buck_coul_long_gpu.h | 8 ++-
src/GPU/pair_buck_gpu.h | 5 +-
src/GPU/pair_coul_long_gpu.h | 7 ++-
src/GPU/pair_eam_alloy_gpu.h | 10 ++--
src/GPU/pair_eam_fs_gpu.h | 10 ++--
src/GPU/pair_eam_gpu.h | 5 +-
src/GPU/pair_gayberne_gpu.cpp | 2 +-
src/GPU/pair_gayberne_gpu.h | 15 ++---
src/GPU/pair_lj96_cut_gpu.h | 5 +-
src/GPU/pair_lj_charmm_coul_long_gpu.h | 7 ++-
src/GPU/pair_lj_class2_coul_long_gpu.h | 7 ++-
src/GPU/pair_lj_class2_gpu.h | 5 +-
src/GPU/pair_lj_cut_coul_cut_gpu.h | 7 ++-
src/GPU/pair_lj_cut_coul_long_gpu.h | 7 ++-
src/GPU/pair_lj_cut_gpu.h | 5 +-
src/GPU/pair_lj_expand_gpu.h | 5 +-
src/GPU/pair_lj_sdk_coul_long_gpu.h | 10 ++--
src/GPU/pair_lj_sdk_gpu.h | 5 +-
src/GPU/pair_morse_gpu.h | 5 +-
src/GPU/pair_resquared_gpu.cpp | 2 +-
src/GPU/pair_resquared_gpu.h | 15 ++---
src/GPU/pair_table_gpu.h | 7 ++-
src/GPU/pair_yukawa_gpu.h | 5 +-
src/GPU/pppm_gpu.h | 7 ++-
src/GRANULAR/fix_wall_gran.h | 2 +-
src/GRANULAR/pair_gran_hooke_history.h | 2 +-
src/KIM/pair_kim.cpp | 21 +++----
src/KIM/pair_kim.h | 24 +++++---
src/KSPACE/pppm_tip4p.h | 2 +-
src/MANYBODY/pair_adp.h | 8 ++-
src/MOLECULE/bond_fene.h | 4 +-
src/MOLECULE/bond_fene_expand.h | 4 +-
src/MOLECULE/dihedral_charmm.h | 2 +-
src/MOLECULE/dihedral_harmonic.h | 2 +-
src/MOLECULE/dihedral_helix.h | 2 +-
src/MOLECULE/dihedral_multi_harmonic.h | 2 +-
src/MOLECULE/dihedral_opls.h | 2 +-
src/MOLECULE/improper_cvff.h | 2 +-
src/MOLECULE/improper_harmonic.h | 2 +-
src/MOLECULE/improper_umbrella.h | 2 +-
src/PERI/pair_peri_lps.h | 2 +-
src/PERI/pair_peri_pmb.h | 2 +-
src/REPLICA/neb.h | 2 +-
src/REPLICA/prd.h | 2 +-
src/REPLICA/tad.h | 2 +-
src/REPLICA/temper.h | 2 +-
src/REPLICA/verlet_split.h | 10 ++--
src/SRD/fix_srd.cpp | 6 +-
src/SRD/fix_srd.h | 37 +++++++++---
src/atom.h | 6 +-
src/atom_vec_ellipsoid.h | 4 +-
src/atom_vec_line.cpp | 13 ++---
src/atom_vec_line.h | 15 ++---
src/atom_vec_tri.h | 12 ++--
src/balance.cpp | 2 -
src/balance.h | 18 +++---
src/change_box.cpp | 5 +-
src/change_box.h | 78 ++++++++------------------
src/comm.h | 17 +++---
src/compute_erotate_sphere.h | 2 +-
src/compute_pair_local.cpp | 2 +-
src/compute_pair_local.h | 7 ++-
src/compute_reduce.h | 6 +-
src/compute_reduce_region.h | 2 +-
src/compute_slice.h | 27 ++++-----
src/compute_temp_sphere.h | 2 +-
src/displace_atoms.cpp | 4 +-
src/displace_atoms.h | 4 +-
src/domain.h | 5 --
src/dump_cfg.h | 4 +-
src/dump_image.h | 65 +++++++++------------
src/fix_ave_correlate.h | 14 ++---
src/fix_ave_time.h | 16 +++---
src/fix_deform.h | 29 +++-------
src/fix_evaporate.h | 3 +-
src/fix_langevin.cpp | 4 +-
src/fix_langevin.h | 23 ++++----
src/fix_nh.cpp | 5 +-
src/fix_nh.h | 18 +++---
src/fix_nh_sphere.h | 2 +-
src/fix_nve_sphere.h | 2 +-
src/fix_restrain.cpp | 4 +-
src/fix_restrain.h | 9 ++-
src/fix_rigid.h | 6 +-
src/fix_shake.h | 6 +-
src/fix_wall_region.h | 4 +-
src/force.h | 4 +-
src/image.h | 4 +-
src/input.h | 6 +-
src/lammps.h | 13 +++--
src/memory.h | 4 +-
src/neigh_bond.h | 8 +--
src/neigh_derive.h | 8 +--
src/neigh_full.h | 8 +--
src/neigh_gran.h | 8 +--
src/neigh_half_bin.h | 8 +--
src/neigh_half_multi.h | 8 +--
src/neigh_half_nsq.h | 8 +--
src/neigh_respa.h | 8 +--
src/neighbor.h | 4 +-
src/pair_beck.h | 9 ++-
src/pair_born_coul_wolf.cpp | 2 +-
src/pair_born_coul_wolf.h | 4 +-
src/pair_coul_wolf.h | 2 +-
src/pair_dpd.h | 2 +-
src/pair_hybrid.h | 5 --
src/pair_lj_smooth_linear.h | 6 +-
src/procmap.cpp | 6 +-
src/procmap.h | 33 ++++++-----
src/read_data.h | 22 ++++----
src/run.h | 2 +-
src/set.h | 18 +++---
src/thermo.h | 16 +++++-
src/universe.cpp | 6 +-
src/universe.h | 16 ++----
src/update.h | 10 ++--
143 files changed, 602 insertions(+), 586 deletions(-)
diff --git a/src/ASPHERE/compute_erotate_asphere.h b/src/ASPHERE/compute_erotate_asphere.h
index 3742937579..e29d15ec24 100644
--- a/src/ASPHERE/compute_erotate_asphere.h
+++ b/src/ASPHERE/compute_erotate_asphere.h
@@ -52,7 +52,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute erotate/asphere requires atom style ellipsoid or line or tri
-UNDOCUMENTED
+Self-explanatory.
E: Compute erotate/asphere requires extended particles
diff --git a/src/ASPHERE/compute_temp_asphere.h b/src/ASPHERE/compute_temp_asphere.h
index e6bfc5af24..715150f5e4 100755
--- a/src/ASPHERE/compute_temp_asphere.h
+++ b/src/ASPHERE/compute_temp_asphere.h
@@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute temp/asphere requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Compute temp/asphere requires extended particles
diff --git a/src/ASPHERE/fix_nh_asphere.h b/src/ASPHERE/fix_nh_asphere.h
index 21a9c713db..5c98e412ce 100644
--- a/src/ASPHERE/fix_nh_asphere.h
+++ b/src/ASPHERE/fix_nh_asphere.h
@@ -41,7 +41,7 @@ class FixNHAsphere : public FixNH {
E: Compute nvt/nph/npt asphere requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Fix nvt/nph/npt asphere requires extended particles
diff --git a/src/ASPHERE/fix_nve_asphere.h b/src/ASPHERE/fix_nve_asphere.h
index 685a2d2763..fe6334fd1f 100755
--- a/src/ASPHERE/fix_nve_asphere.h
+++ b/src/ASPHERE/fix_nve_asphere.h
@@ -44,7 +44,7 @@ class FixNVEAsphere : public FixNVE {
E: Compute nve/asphere requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/asphere requires extended particles
diff --git a/src/ASPHERE/fix_nve_asphere_noforce.h b/src/ASPHERE/fix_nve_asphere_noforce.h
index cc1c497392..6e0209d722 100755
--- a/src/ASPHERE/fix_nve_asphere_noforce.h
+++ b/src/ASPHERE/fix_nve_asphere_noforce.h
@@ -50,10 +50,10 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/asphere/noforce requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/asphere/noforce requires extended particles
-UNDOCUMENTED
+One of the particles is not an ellipsoid.
*/
diff --git a/src/ASPHERE/fix_nve_line.h b/src/ASPHERE/fix_nve_line.h
index 7ad52fdb0b..2a2e957be2 100644
--- a/src/ASPHERE/fix_nve_line.h
+++ b/src/ASPHERE/fix_nve_line.h
@@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/line requires atom style line
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/line can only be used for 2d simulations
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/line requires line particles
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/ASPHERE/fix_nve_tri.cpp b/src/ASPHERE/fix_nve_tri.cpp
index 92fc1320d0..9048f89269 100644
--- a/src/ASPHERE/fix_nve_tri.cpp
+++ b/src/ASPHERE/fix_nve_tri.cpp
@@ -58,7 +58,7 @@ void FixNVETri::init()
int i,itype;
if (domain->dimension != 3)
- error->all(FLERR,"Fix nve/line can only be used for 3d simulations");
+ error->all(FLERR,"Fix nve/tri can only be used for 3d simulations");
// check that all particles are triangles
// no point particles allowed
diff --git a/src/ASPHERE/fix_nve_tri.h b/src/ASPHERE/fix_nve_tri.h
index d676a140d6..a3877a938f 100644
--- a/src/ASPHERE/fix_nve_tri.h
+++ b/src/ASPHERE/fix_nve_tri.h
@@ -53,14 +53,14 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/tri requires atom style tri
-UNDOCUMENTED
+Self-explanatory.
-E: Fix nve/line can only be used for 3d simulations
+E: Fix nve/tri can only be used for 3d simulations
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/tri requires tri particles
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/ASPHERE/pair_gayberne.h b/src/ASPHERE/pair_gayberne.h
index 64db9f4f79..1fa0a8a0e7 100755
--- a/src/ASPHERE/pair_gayberne.h
+++ b/src/ASPHERE/pair_gayberne.h
@@ -78,7 +78,7 @@ class PairGayBerne : public Pair {
E: Pair gayberne requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Illegal ... command
@@ -92,7 +92,7 @@ Self-explanatory. Check the input script or data file.
E: Pair gayberne requires atoms with same type have same shape
-UNDOCUMENTED
+Self-explanatory.
E: Pair gayberne epsilon a,b,c coeffs are not all set
@@ -101,6 +101,6 @@ have these 3 coefficients set at least once.
E: Bad matrix inversion in mldivide3
-UNDOCUMENTED
+This error should not occur unless the matrix is badly formed.
*/
diff --git a/src/ASPHERE/pair_line_lj.h b/src/ASPHERE/pair_line_lj.h
index a23c741eb1..b6c2d3bc0b 100644
--- a/src/ASPHERE/pair_line_lj.h
+++ b/src/ASPHERE/pair_line_lj.h
@@ -64,7 +64,7 @@ class PairLineLJ : public Pair {
E: Pair line/lj requires atom style line
-UNDOCUMENTED
+Self-explanatory.
E: Illegal ... command
diff --git a/src/ASPHERE/pair_resquared.cpp b/src/ASPHERE/pair_resquared.cpp
index 9fb782b681..c2654ca7fd 100755
--- a/src/ASPHERE/pair_resquared.cpp
+++ b/src/ASPHERE/pair_resquared.cpp
@@ -328,7 +328,7 @@ void PairRESquared::init_style()
for (int i = 1; i <= atom->ntypes; i++) {
if (!atom->shape_consistency(i,shape1[i][0],shape1[i][1],shape1[i][2]))
- error->all(FLERR,"Pair gayberne requires atoms with same type have same shape");
+ error->all(FLERR,"Pair resquared requires atoms with same type have same shape");
if (setwell[i]) {
shape2[i][0] = shape1[i][0]*shape1[i][0];
shape2[i][1] = shape1[i][1]*shape1[i][1];
diff --git a/src/ASPHERE/pair_resquared.h b/src/ASPHERE/pair_resquared.h
index 7e69ce6eb0..da0b24a8b8 100755
--- a/src/ASPHERE/pair_resquared.h
+++ b/src/ASPHERE/pair_resquared.h
@@ -100,7 +100,7 @@ class PairRESquared : public Pair {
E: Pair resquared requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Illegal ... command
@@ -112,9 +112,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
-E: Pair gayberne requires atoms with same type have same shape
+E: Pair resquared requires atoms with same type have same shape
-UNDOCUMENTED
+Self-explanatory.
E: Pair resquared epsilon a,b,c coeffs are not all set
@@ -126,6 +126,6 @@ Self-explanatory.
E: Bad matrix inversion in mldivide3
-UNDOCUMENTED
+This error should not occur unless the matrix is badly formed.
*/
diff --git a/src/ASPHERE/pair_tri_lj.h b/src/ASPHERE/pair_tri_lj.h
index 97c7ad4a2d..df65b0fd10 100644
--- a/src/ASPHERE/pair_tri_lj.h
+++ b/src/ASPHERE/pair_tri_lj.h
@@ -64,7 +64,7 @@ class PairTriLJ : public Pair {
E: Pair tri/lj requires atom style tri
-UNDOCUMENTED
+Self-explanatory.
E: Illegal ... command
diff --git a/src/CLASS2/dihedral_class2.h b/src/CLASS2/dihedral_class2.h
index cc1f13674e..66173efaea 100644
--- a/src/CLASS2/dihedral_class2.h
+++ b/src/CLASS2/dihedral_class2.h
@@ -60,7 +60,7 @@ class DihedralClass2 : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Invalid coeffs for this dihedral style
diff --git a/src/CLASS2/improper_class2.h b/src/CLASS2/improper_class2.h
index 58508fda14..1e47b407c4 100644
--- a/src/CLASS2/improper_class2.h
+++ b/src/CLASS2/improper_class2.h
@@ -55,7 +55,7 @@ class ImproperClass2 : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for improper coefficients
diff --git a/src/COLLOID/fix_wall_colloid.h b/src/COLLOID/fix_wall_colloid.h
index 9e9ff0445b..03e3b9e88f 100644
--- a/src/COLLOID/fix_wall_colloid.h
+++ b/src/COLLOID/fix_wall_colloid.h
@@ -44,11 +44,11 @@ class FixWallColloid : public FixWall {
E: Fix wall/colloid requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Fix wall/colloid requires extended particles
-Self-explanatory.
+One of the particles has radius 0.0.
E: Particle on or inside fix wall surface
diff --git a/src/COLLOID/pair_yukawa_colloid.h b/src/COLLOID/pair_yukawa_colloid.h
index 57beb37550..29d5b6521f 100644
--- a/src/COLLOID/pair_yukawa_colloid.h
+++ b/src/COLLOID/pair_yukawa_colloid.h
@@ -43,10 +43,10 @@ class PairYukawaColloid : public PairYukawa {
E: Pair yukawa/colloid requires atom style sphere
-UNDOCUMENTED
+Self-explantory.
E: Pair yukawa/colloid requires atoms with same type have same radius
-UNDOCUMENTED
+Self-explantory.
*/
diff --git a/src/DIPOLE/pair_dipole_cut.h b/src/DIPOLE/pair_dipole_cut.h
index fbd8df64f6..f787dda55d 100644
--- a/src/DIPOLE/pair_dipole_cut.h
+++ b/src/DIPOLE/pair_dipole_cut.h
@@ -65,6 +65,6 @@ Self-explanatory. Check the input script or data file.
E: Pair dipole/cut requires atom attributes q, mu, torque
-UNDOCUMENTED
+The atom style defined does not have these attributes.
*/
diff --git a/src/FLD/pair_brownian.h b/src/FLD/pair_brownian.h
index cc3f672e87..56a0b99e78 100644
--- a/src/FLD/pair_brownian.h
+++ b/src/FLD/pair_brownian.h
@@ -71,18 +71,18 @@ Self-explanatory. Check the input script or data file.
E: Pair brownian requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
W: Pair brownian needs newton pair on for momentum conservation
-UNDOCUMENTED
+Self-explanatory.
E: Pair brownian requires extended particles
-UNDOCUMENTED
+One of the particles has radius 0.0.
E: Pair brownian requires monodisperse particles
-UNDOCUMENTED
+All particles must be the same finite size.
*/
diff --git a/src/FLD/pair_brownian_poly.h b/src/FLD/pair_brownian_poly.h
index 90a1e7033c..98dd18ce5c 100644
--- a/src/FLD/pair_brownian_poly.h
+++ b/src/FLD/pair_brownian_poly.h
@@ -42,14 +42,14 @@ class PairBrownianPoly : public PairBrownian {
E: Pair brownian/poly requires newton pair off
-UNDOCUMENTED
+Self-explanatory.
E: Pair brownian/poly requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair brownian/poly requires extended particles
-UNDOCUMENTED
+One of the particles has radius 0.0.
*/
diff --git a/src/FLD/pair_lubricate.h b/src/FLD/pair_lubricate.h
index b79d2333dc..e78db0f66f 100644
--- a/src/FLD/pair_lubricate.h
+++ b/src/FLD/pair_lubricate.h
@@ -72,7 +72,7 @@ Self-explanatory. Check the input script or data file.
E: Pair lubricate requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricate requires ghost atoms store velocity
@@ -80,10 +80,10 @@ Use the communicate vel yes command to enable this.
E: Pair lubricate requires monodisperse particles
-UNDOCUMENTED
+All particles must be the same finite size.
E: Using pair lubricate with inconsistent fix deform remap option
-UNDOCUMENTED
+If fix deform is used, the remap v option is required.
*/
diff --git a/src/FLD/pair_lubricateU.h b/src/FLD/pair_lubricateU.h
index 8cedc76dbc..2b5a620979 100644
--- a/src/FLD/pair_lubricateU.h
+++ b/src/FLD/pair_lubricateU.h
@@ -87,14 +87,14 @@ Self-explanatory. Check the input script or data file.
E: Pair lubricateU requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricateU requires ghost atoms store velocity
-UNDOCUMENTED
+Use the communicate vel yes command to enable this.
E: Pair lubricateU requires monodisperse particles
-UNDOCUMENTED
+All particles must be the same finite size.
*/
diff --git a/src/FLD/pair_lubricateU_poly.h b/src/FLD/pair_lubricateU_poly.h
index 8eb8cc2287..9be965664c 100644
--- a/src/FLD/pair_lubricateU_poly.h
+++ b/src/FLD/pair_lubricateU_poly.h
@@ -54,18 +54,18 @@ command-line option when running LAMMPS to see the offending line.
E: Pair lubricateU/poly requires newton pair off
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricateU/poly requires ghost atoms store velocity
-UNDOCUMENTED
+Use the communicate vel yes command to enable this.
E: Pair lubricate/poly requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricate/poly requires extended particles
-UNDOCUMENTED
+One of the particles has radius 0.0.
*/
diff --git a/src/FLD/pair_lubricate_poly.h b/src/FLD/pair_lubricate_poly.h
index f4be3abee5..0a31137dd3 100644
--- a/src/FLD/pair_lubricate_poly.h
+++ b/src/FLD/pair_lubricate_poly.h
@@ -41,22 +41,22 @@ class PairLubricatePoly : public PairLubricate {
E: Pair lubricate/poly requires newton pair off
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricate/poly requires ghost atoms store velocity
-UNDOCUMENTED
+Use the communicate vel yes command to enable this.
E: Pair lubricate/poly requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair lubricate/poly requires extended particles
-UNDOCUMENTED
+One of the particles has radius 0.0.
E: Using pair lubricate/poly with inconsistent fix deform remap option
-UNDOCUMENTED
+If fix deform is used, the remap v option is required.
*/
diff --git a/src/GPU/fix_gpu.h b/src/GPU/fix_gpu.h
index b21310cb5b..d9856102f7 100644
--- a/src/GPU/fix_gpu.h
+++ b/src/GPU/fix_gpu.h
@@ -50,7 +50,8 @@ class FixGPU : public Fix {
E: Cannot use fix GPU with USER-CUDA mode enabled
-UNDOCUMENTED
+You cannot use both the GPU and USER-CUDA packages
+together. Use one or the other.
E: Illegal ... command
@@ -65,11 +66,12 @@ in LAMMPS.
E: Cannot use force/hybrid_neigh with triclinic box
-UNDOCUMENTED
+Self-explanatory.
E: No OpenMP support compiled in
-UNDOCUMENTED
+An OpenMP flag is set, but LAMMPS was not built with
+OpenMP support.
E: Cannot use pair hybrid with GPU neighbor builds
@@ -77,7 +79,7 @@ See documentation for fix gpu.
E: Fix GPU split must be positive for hybrid pair styles
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use neigh_modify exclude with GPU neighbor builds
diff --git a/src/GPU/gpu_extra.h b/src/GPU/gpu_extra.h
index e3bba97644..2f4cdcb2ca 100644
--- a/src/GPU/gpu_extra.h
+++ b/src/GPU/gpu_extra.h
@@ -56,8 +56,52 @@ namespace GPU_EXTRA {
inline void gpu_ready(LAMMPS_NS::Modify *modify, LAMMPS_NS::Error *error) {
int ifix = modify->find_fix("package_gpu");
if (ifix < 0)
- error->all(FLERR,"The 'package gpu' command is required for /gpu styles");
+ error->all(FLERR,"The package gpu command is required for gpu styles");
};
}
#endif
+
+/* ERROR/WARNING messages:
+
+E: Accelerated style in input script but no fix gpu
+
+UNDOCUMENTED
+
+E: Could not find/initialize a specified accelerator device
+
+UNDOCUMENTED
+
+E: Insufficient memory on accelerator
+
+UNDOCUMENTED
+
+E: GPU library not compiled for this accelerator
+
+UNDOCUMENTED
+
+E: Double precision is not supported on this accelerator
+
+UNDOCUMENTED
+
+E: Unable to initialize accelerator for use
+
+UNDOCUMENTED
+
+E: Accelerator sharing is not currently supported on system
+
+UNDOCUMENTED
+
+E: GPU particle split must be set to 1 for this pair style.
+
+UNDOCUMENTED
+
+E: Unknown error in GPU library
+
+UNDOCUMENTED
+
+E: The package gpu command is required for gpu styles
+
+UNDOCUMENTED
+
+*/
diff --git a/src/GPU/pair_buck_coul_cut_gpu.h b/src/GPU/pair_buck_coul_cut_gpu.h
index a92860d888..1f482e113a 100644
--- a/src/GPU/pair_buck_coul_cut_gpu.h
+++ b/src/GPU/pair_buck_coul_cut_gpu.h
@@ -49,14 +49,11 @@ class PairBuckCoulCutGPU : public PairBuckCoulCut {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with buck/coul/cut/gpu pair style
-UNDOCUMENTED
-
-U: Pair style buck/coul/cut/gpu requires atom attribute q
-
-The atom style defined does not have this attribute.
+Self-explanatory.
*/
diff --git a/src/GPU/pair_buck_coul_long_gpu.h b/src/GPU/pair_buck_coul_long_gpu.h
index ae39314398..92918cedea 100644
--- a/src/GPU/pair_buck_coul_long_gpu.h
+++ b/src/GPU/pair_buck_coul_long_gpu.h
@@ -49,7 +49,8 @@ class PairBuckCoulLongGPU : public PairBuckCoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style buck/coul/long/gpu requires atom attribute q
@@ -57,10 +58,11 @@ The atom style defined does not have this attribute.
E: Cannot use newton pair with buck/coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
-UNDOCUMENTED
+If a pair style with a long-range Coulombic component is selected,
+then a kspace style must also be used.
*/
diff --git a/src/GPU/pair_buck_gpu.h b/src/GPU/pair_buck_gpu.h
index cef24eeccc..0498755ca8 100644
--- a/src/GPU/pair_buck_gpu.h
+++ b/src/GPU/pair_buck_gpu.h
@@ -49,10 +49,11 @@ class PairBuckGPU : public PairBuck {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with buck/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_coul_long_gpu.h b/src/GPU/pair_coul_long_gpu.h
index b15f732ec7..5274472778 100644
--- a/src/GPU/pair_coul_long_gpu.h
+++ b/src/GPU/pair_coul_long_gpu.h
@@ -49,15 +49,16 @@ class PairCoulLongGPU : public PairCoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style coul/long/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have these attributes.
E: Cannot use newton pair with coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
diff --git a/src/GPU/pair_eam_alloy_gpu.h b/src/GPU/pair_eam_alloy_gpu.h
index ffa2af76aa..3305a4ea24 100644
--- a/src/GPU/pair_eam_alloy_gpu.h
+++ b/src/GPU/pair_eam_alloy_gpu.h
@@ -44,18 +44,20 @@ public:
E: Incorrect args for pair coefficients
-UNDOCUMENTED
+Self-explanatory. Check the input script or data file.
E: No matching element in EAM potential file
-UNDOCUMENTED
+The EAM potential file does not contain elements that match the
+requested elements.
E: Cannot open EAM potential file %s
-UNDOCUMENTED
+The specified EAM potential file cannot be opened. Check that the
+path and name are correct.
E: Incorrect element names in EAM potential file
-UNDOCUMENTED
+The element names in the EAM file do not match those requested.
*/
diff --git a/src/GPU/pair_eam_fs_gpu.h b/src/GPU/pair_eam_fs_gpu.h
index c46226bcbf..49733e5739 100644
--- a/src/GPU/pair_eam_fs_gpu.h
+++ b/src/GPU/pair_eam_fs_gpu.h
@@ -44,18 +44,20 @@ public:
E: Incorrect args for pair coefficients
-UNDOCUMENTED
+Self-explanatory. Check the input script or data file.
E: No matching element in EAM potential file
-UNDOCUMENTED
+The EAM potential file does not contain elements that match the
+requested elements.
E: Cannot open EAM potential file %s
-UNDOCUMENTED
+The specified EAM potential file cannot be opened. Check that the
+path and name are correct.
E: Incorrect element names in EAM potential file
-UNDOCUMENTED
+The element names in the EAM file do not match those requested.
*/
diff --git a/src/GPU/pair_eam_gpu.h b/src/GPU/pair_eam_gpu.h
index 3415f97914..686f276e8b 100644
--- a/src/GPU/pair_eam_gpu.h
+++ b/src/GPU/pair_eam_gpu.h
@@ -56,11 +56,12 @@ class PairEAMGPU : public PairEAM {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with eam/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Not allocate memory eam/gpu pair style
diff --git a/src/GPU/pair_gayberne_gpu.cpp b/src/GPU/pair_gayberne_gpu.cpp
index 18c9f6356d..8447169abb 100644
--- a/src/GPU/pair_gayberne_gpu.cpp
+++ b/src/GPU/pair_gayberne_gpu.cpp
@@ -74,7 +74,7 @@ PairGayBerneGPU::PairGayBerneGPU(LAMMPS *lmp) : PairGayBerne(lmp),
{
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
if (!avec)
- error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
+ error->all(FLERR,"Pair gayberne/gpu requires atom style ellipsoid");
quat_nmax = 0;
quat = NULL;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
diff --git a/src/GPU/pair_gayberne_gpu.h b/src/GPU/pair_gayberne_gpu.h
index 5e182f5127..8a249c1da6 100644
--- a/src/GPU/pair_gayberne_gpu.h
+++ b/src/GPU/pair_gayberne_gpu.h
@@ -49,24 +49,21 @@ class PairGayBerneGPU : public PairGayBerne {
/* ERROR/WARNING messages:
-E: Pair gayberne requires atom style ellipsoid
+E: Pair gayberne/gpu requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with gayberne/gpu pair style
-UNDOCUMENTED
-
-E: Pair gayberne/gpu requires atom style ellipsoid
-
-UNDOCUMENTED
+Self-explanatory.
E: Pair gayberne/gpu requires atoms with same type have same shape
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj96_cut_gpu.h b/src/GPU/pair_lj96_cut_gpu.h
index 992b2b8e2b..8fa4df7555 100644
--- a/src/GPU/pair_lj96_cut_gpu.h
+++ b/src/GPU/pair_lj96_cut_gpu.h
@@ -49,10 +49,11 @@ class PairLJ96CutGPU : public PairLJ96Cut {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with lj96/cut/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj_charmm_coul_long_gpu.h b/src/GPU/pair_lj_charmm_coul_long_gpu.h
index 96c2e2f1ac..d4c56350fd 100644
--- a/src/GPU/pair_lj_charmm_coul_long_gpu.h
+++ b/src/GPU/pair_lj_charmm_coul_long_gpu.h
@@ -49,15 +49,16 @@ class PairLJCharmmCoulLongGPU : public PairLJCharmmCoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style lj/charmm/coul/long/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/charmm/coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
diff --git a/src/GPU/pair_lj_class2_coul_long_gpu.h b/src/GPU/pair_lj_class2_coul_long_gpu.h
index 7c5136d358..891cee2884 100644
--- a/src/GPU/pair_lj_class2_coul_long_gpu.h
+++ b/src/GPU/pair_lj_class2_coul_long_gpu.h
@@ -49,15 +49,16 @@ class PairLJClass2CoulLongGPU : public PairLJClass2CoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style lj/class2/coul/long/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/class2/coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
diff --git a/src/GPU/pair_lj_class2_gpu.h b/src/GPU/pair_lj_class2_gpu.h
index a7e286a147..64968a26ee 100644
--- a/src/GPU/pair_lj_class2_gpu.h
+++ b/src/GPU/pair_lj_class2_gpu.h
@@ -49,10 +49,11 @@ class PairLJClass2GPU : public PairLJClass2 {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with lj/class2/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj_cut_coul_cut_gpu.h b/src/GPU/pair_lj_cut_coul_cut_gpu.h
index 6deb28eaf1..c05a1377ce 100644
--- a/src/GPU/pair_lj_cut_coul_cut_gpu.h
+++ b/src/GPU/pair_lj_cut_coul_cut_gpu.h
@@ -49,14 +49,15 @@ class PairLJCutCoulCutGPU : public PairLJCutCoulCut {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style lj/cut/coul/cut/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/cut/coul/cut/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj_cut_coul_long_gpu.h b/src/GPU/pair_lj_cut_coul_long_gpu.h
index 91a1784e82..fe2355ca0f 100644
--- a/src/GPU/pair_lj_cut_coul_long_gpu.h
+++ b/src/GPU/pair_lj_cut_coul_long_gpu.h
@@ -49,15 +49,16 @@ class PairLJCutCoulLongGPU : public PairLJCutCoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style lj/cut/coul/long/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/cut/coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
diff --git a/src/GPU/pair_lj_cut_gpu.h b/src/GPU/pair_lj_cut_gpu.h
index 93032a9720..7186a0b4e0 100644
--- a/src/GPU/pair_lj_cut_gpu.h
+++ b/src/GPU/pair_lj_cut_gpu.h
@@ -49,10 +49,11 @@ class PairLJCutGPU : public PairLJCut {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with lj/cut/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj_expand_gpu.h b/src/GPU/pair_lj_expand_gpu.h
index 57e8135f4d..454e27f31a 100644
--- a/src/GPU/pair_lj_expand_gpu.h
+++ b/src/GPU/pair_lj_expand_gpu.h
@@ -49,10 +49,11 @@ class PairLJExpandGPU : public PairLJExpand {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with lj/expand/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_lj_sdk_coul_long_gpu.h b/src/GPU/pair_lj_sdk_coul_long_gpu.h
index 2e5d928fb6..ab1ac9e09d 100644
--- a/src/GPU/pair_lj_sdk_coul_long_gpu.h
+++ b/src/GPU/pair_lj_sdk_coul_long_gpu.h
@@ -51,18 +51,20 @@ class PairLJSDKCoulLongGPU : public PairLJSDKCoulLong {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Pair style lj/sdk/coul/long/gpu requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: Cannot use newton pair with lj/sdk/coul/long/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair style is incompatible with KSpace style
-UNDOCUMENTED
+If a pair style with a long-range Coulombic component is selected,
+then a kspace style must also be used.
*/
diff --git a/src/GPU/pair_lj_sdk_gpu.h b/src/GPU/pair_lj_sdk_gpu.h
index 34df1dd146..6138d40e7e 100644
--- a/src/GPU/pair_lj_sdk_gpu.h
+++ b/src/GPU/pair_lj_sdk_gpu.h
@@ -51,10 +51,11 @@ class PairLJSDKGPU : public PairLJSDK {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with lj/sdk/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_morse_gpu.h b/src/GPU/pair_morse_gpu.h
index 7567d18ce2..aaa5597b75 100644
--- a/src/GPU/pair_morse_gpu.h
+++ b/src/GPU/pair_morse_gpu.h
@@ -49,10 +49,11 @@ class PairMorseGPU : public PairMorse {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with morse/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_resquared_gpu.cpp b/src/GPU/pair_resquared_gpu.cpp
index 566712ec46..56359c6311 100644
--- a/src/GPU/pair_resquared_gpu.cpp
+++ b/src/GPU/pair_resquared_gpu.cpp
@@ -73,7 +73,7 @@ PairRESquaredGPU::PairRESquaredGPU(LAMMPS *lmp) : PairRESquared(lmp),
{
avec = (AtomVecEllipsoid *) atom->style_match("ellipsoid");
if (!avec)
- error->all(FLERR,"Pair gayberne requires atom style ellipsoid");
+ error->all(FLERR,"Pair resquared/gpu requires atom style ellipsoid");
quat_nmax = 0;
quat = NULL;
GPU_EXTRA::gpu_ready(lmp->modify, lmp->error);
diff --git a/src/GPU/pair_resquared_gpu.h b/src/GPU/pair_resquared_gpu.h
index 1e188cae6c..3efacd97ea 100644
--- a/src/GPU/pair_resquared_gpu.h
+++ b/src/GPU/pair_resquared_gpu.h
@@ -49,24 +49,21 @@ class PairRESquaredGPU : public PairRESquared {
/* ERROR/WARNING messages:
-E: Pair gayberne requires atom style ellipsoid
+E: Pair resquared/gpu requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with resquared/gpu pair style
-UNDOCUMENTED
-
-E: Pair resquared/gpu requires atom style ellipsoid
-
-UNDOCUMENTED
+Self-explanatory.
E: Pair resquared/gpu requires atoms with same type have same shape
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pair_table_gpu.h b/src/GPU/pair_table_gpu.h
index efe0edbb3d..b1a2de2a44 100644
--- a/src/GPU/pair_table_gpu.h
+++ b/src/GPU/pair_table_gpu.h
@@ -49,15 +49,16 @@ class PairTableGPU : public PairTable {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with table/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
E: Pair distance < table inner cutoff
-UNDOCUMENTED
+Two atoms are closer together than the pairwise table allows.
E: Pair distance > table outer cutoff
diff --git a/src/GPU/pair_yukawa_gpu.h b/src/GPU/pair_yukawa_gpu.h
index d6f04fc2b7..b95d898344 100644
--- a/src/GPU/pair_yukawa_gpu.h
+++ b/src/GPU/pair_yukawa_gpu.h
@@ -49,10 +49,11 @@ class PairYukawaGPU : public PairYukawa {
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Cannot use newton pair with yukawa/gpu pair style
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/GPU/pppm_gpu.h b/src/GPU/pppm_gpu.h
index c181420d0f..aec92bc60d 100644
--- a/src/GPU/pppm_gpu.h
+++ b/src/GPU/pppm_gpu.h
@@ -1,4 +1,4 @@
-/* ----------------------------------------------------------------------
+ndoc/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov
@@ -67,11 +67,12 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot use order greater than 8 with pppm/gpu.
-UNDOCUMENTED
+Self-explanatory.
E: Out of memory on GPGPU
-UNDOCUMENTED
+GPU memory is limited. Reduce the size of the problem or increase the
+number of GPUs.
E: Out of range atoms - cannot compute PPPM
diff --git a/src/GRANULAR/fix_wall_gran.h b/src/GRANULAR/fix_wall_gran.h
index 51732c837a..e240f33ba0 100644
--- a/src/GRANULAR/fix_wall_gran.h
+++ b/src/GRANULAR/fix_wall_gran.h
@@ -85,7 +85,7 @@ command-line option when running LAMMPS to see the offending line.
E: Fix wall/gran requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use wall in periodic dimension
diff --git a/src/GRANULAR/pair_gran_hooke_history.h b/src/GRANULAR/pair_gran_hooke_history.h
index fea3713653..593143205c 100644
--- a/src/GRANULAR/pair_gran_hooke_history.h
+++ b/src/GRANULAR/pair_gran_hooke_history.h
@@ -80,7 +80,7 @@ Self-explanatory. Check the input script or data file.
E: Pair granular requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Pair granular requires ghost atoms store velocity
diff --git a/src/KIM/pair_kim.cpp b/src/KIM/pair_kim.cpp
index e210c67cd8..465461ea9c 100644
--- a/src/KIM/pair_kim.cpp
+++ b/src/KIM/pair_kim.cpp
@@ -35,8 +35,6 @@
using namespace LAMMPS_NS;
-
-
/* ---------------------------------------------------------------------- */
PairKIM::PairKIM(LAMMPS *lmp) : Pair(lmp)
@@ -298,7 +296,7 @@ void PairKIM::coeff(int narg, char **arg)
void PairKIM::init_style()
{
if (force->newton_pair != 0)
- error->all(FLERR,"Pair style pair_KIM requires newton pair Off");
+ error->all(FLERR,"Pair style kim requires newton pair off");
// setup onebuf for neighbors of one atom if needed
@@ -460,14 +458,14 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
self->pointsto =0;
*numnei=0;
return KIM_STATUS_NEIGH_ITER_INIT_OK; //succsesful restart
- } else if(*request==1){//increment iterator
- if (self->pointsto > inum || inum <0){
+ } else if (*request==1) { //increment iterator
+ if (self->pointsto > inum || inum <0) {
self->error->one(FLERR,"KIM neighbor iterator exceeded range");
- }else if(self->pointsto == inum) {
+ } else if (self->pointsto == inum) {
self->pointsto ==0;
*numnei=0;
return KIM_STATUS_NEIGH_ITER_PAST_END; //reached end by iterator
- }else{
+ } else{
*atom = ilist[self->pointsto];
*numnei = numneigh[*atom];
@@ -486,7 +484,7 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
if (*numnei > KIM_API_MAX_NEIGHBORS)
return KIM_STATUS_NEIGH_TOO_MANY_NEIGHBORS;
if (pkim->support_Rij){
- for( jj=0; jj < *numnei; jj++){
+ for (jj=0; jj < *numnei; jj++){
int i = *atom;
j = (*nei1atom)[jj];
self->Rij[jj*3 +0] = -x[i*3+0] + x[j*3+0];
@@ -531,10 +529,9 @@ int PairKIM::get_neigh(void **kimmdl,int *mode,int *request,
}
}
return KIM_STATUS_OK;//successful end
- }else{
- return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
- }
- return -16;//should not get here: unspecified error
+ } else return KIM_STATUS_NEIGH_INVALID_MODE;//invalid mode
+
+ return -16; //should not get here: unspecified error
}
/* ---------------------------------------------------------------------- */
diff --git a/src/KIM/pair_kim.h b/src/KIM/pair_kim.h
index aac9ad9beb..024c489825 100644
--- a/src/KIM/pair_kim.h
+++ b/src/KIM/pair_kim.h
@@ -117,34 +117,40 @@ class PairKIM : public Pair {
E: Illegal ... command
-UNDOCUMENTED
+Self-explanatory. Check the input script syntax and compare to the
+documentation for the command. You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
-UNDOCUMENTED
+Self-explanatory. Check the input script or data file.
-E: Pair style pair_KIM requires newton pair Off
+E: Pair style kim requires newton pair off
-UNDOCUMENTED
+Self-explanatory.
E: All pair coeffs are not set
-UNDOCUMENTED
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
E: KIM neighbor iterator exceeded range
-UNDOCUMENTED
+This error should not normally occur if the KIM library is working
+correctly.
E: KIM_DIR environement variable is unset
-UNDOCUMENTED
+The KIM library requires that this environment variable be set before
+running LAMMPS>
E: PWD environement variable is unset
-UNDOCUMENTED
+The KIM library requires that this environment variable be set before
+running LAMMPS>
E: KIM initialization failed
-UNDOCUMENTED
+This is an error return from the KIM library.
*/
diff --git a/src/KSPACE/pppm_tip4p.h b/src/KSPACE/pppm_tip4p.h
index 6afb0ae036..8031b706b6 100644
--- a/src/KSPACE/pppm_tip4p.h
+++ b/src/KSPACE/pppm_tip4p.h
@@ -48,7 +48,7 @@ class PPPMTIP4P : public PPPM {
E: Kspace style pppm/tip4p requires newton on
-UNDOCUMENTED
+Self-explanatory.
E: Out of range atoms - cannot compute PPPM
diff --git a/src/MANYBODY/pair_adp.h b/src/MANYBODY/pair_adp.h
index 3e68846e50..6bd52e6d7d 100644
--- a/src/MANYBODY/pair_adp.h
+++ b/src/MANYBODY/pair_adp.h
@@ -107,14 +107,16 @@ Self-explanatory. Check the input script or data file.
E: No matching element in ADP potential file
-UNDOCUMENTED
+The ADP potential file does not contain elements that match the
+requested elements.
E: Cannot open ADP potential file %s
-UNDOCUMENTED
+The specified ADP potential file cannot be opened. Check that the
+path and name are correct.
E: Incorrect element names in ADP potential file
-UNDOCUMENTED
+The element names in the ADP file do not match those requested.
*/
diff --git a/src/MOLECULE/bond_fene.h b/src/MOLECULE/bond_fene.h
index 88f50952c4..e90c61c037 100644
--- a/src/MOLECULE/bond_fene.h
+++ b/src/MOLECULE/bond_fene.h
@@ -54,7 +54,7 @@ class BondFENE : public Bond {
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
+will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
+will be truncated to attempt to prevent the bond from blowing up.
*/
diff --git a/src/MOLECULE/bond_fene_expand.h b/src/MOLECULE/bond_fene_expand.h
index bae8a73273..449c32b308 100644
--- a/src/MOLECULE/bond_fene_expand.h
+++ b/src/MOLECULE/bond_fene_expand.h
@@ -54,7 +54,7 @@ class BondFENEExpand : public Bond {
W: FENE bond too long: %ld %d %d %g
A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
+will be truncated to attempt to prevent the bond from blowing up.
E: Bad FENE bond
@@ -72,6 +72,6 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g
A FENE bond has stretched dangerously far. It's interaction strength
-will be truncated to attempt to prevent the bond from blowing up. :dd
+will be truncated to attempt to prevent the bond from blowing up.
*/
diff --git a/src/MOLECULE/dihedral_charmm.h b/src/MOLECULE/dihedral_charmm.h
index 44a93357f5..be0e7c5847 100644
--- a/src/MOLECULE/dihedral_charmm.h
+++ b/src/MOLECULE/dihedral_charmm.h
@@ -54,7 +54,7 @@ class DihedralCharmm : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
diff --git a/src/MOLECULE/dihedral_harmonic.h b/src/MOLECULE/dihedral_harmonic.h
index ce78bcd992..5eafdb61f3 100644
--- a/src/MOLECULE/dihedral_harmonic.h
+++ b/src/MOLECULE/dihedral_harmonic.h
@@ -51,7 +51,7 @@ class DihedralHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
diff --git a/src/MOLECULE/dihedral_helix.h b/src/MOLECULE/dihedral_helix.h
index 6f254ad948..f28b9db28e 100644
--- a/src/MOLECULE/dihedral_helix.h
+++ b/src/MOLECULE/dihedral_helix.h
@@ -50,7 +50,7 @@ class DihedralHelix : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
diff --git a/src/MOLECULE/dihedral_multi_harmonic.h b/src/MOLECULE/dihedral_multi_harmonic.h
index 8ba96dc0c9..a768cb6d62 100644
--- a/src/MOLECULE/dihedral_multi_harmonic.h
+++ b/src/MOLECULE/dihedral_multi_harmonic.h
@@ -50,7 +50,7 @@ class DihedralMultiHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
diff --git a/src/MOLECULE/dihedral_opls.h b/src/MOLECULE/dihedral_opls.h
index 887507324e..e2c0d6b2c4 100644
--- a/src/MOLECULE/dihedral_opls.h
+++ b/src/MOLECULE/dihedral_opls.h
@@ -50,7 +50,7 @@ class DihedralOPLS : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d
Conformation of the 4 listed dihedral atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for dihedral coefficients
diff --git a/src/MOLECULE/improper_cvff.h b/src/MOLECULE/improper_cvff.h
index 410522952f..5f8755b30c 100644
--- a/src/MOLECULE/improper_cvff.h
+++ b/src/MOLECULE/improper_cvff.h
@@ -51,7 +51,7 @@ class ImproperCvff : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for improper coefficients
diff --git a/src/MOLECULE/improper_harmonic.h b/src/MOLECULE/improper_harmonic.h
index 5e5c0bf22a..f75df37dc5 100644
--- a/src/MOLECULE/improper_harmonic.h
+++ b/src/MOLECULE/improper_harmonic.h
@@ -50,7 +50,7 @@ class ImproperHarmonic : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for improper coefficients
diff --git a/src/MOLECULE/improper_umbrella.h b/src/MOLECULE/improper_umbrella.h
index 6a566d606d..fd3d47127f 100644
--- a/src/MOLECULE/improper_umbrella.h
+++ b/src/MOLECULE/improper_umbrella.h
@@ -50,7 +50,7 @@ class ImproperUmbrella : public Improper {
W: Improper problem: %d %ld %d %d %d %d
Conformation of the 4 listed improper atoms is extreme; you may want
-to check your simulation geometry. :dd
+to check your simulation geometry.
E: Incorrect args for improper coefficients
diff --git a/src/PERI/pair_peri_lps.h b/src/PERI/pair_peri_lps.h
index 3d382acdf6..aa2ab23c3b 100644
--- a/src/PERI/pair_peri_lps.h
+++ b/src/PERI/pair_peri_lps.h
@@ -83,7 +83,7 @@ pair_coeff command before running a simulation.
E: Pair style peri requires atom style peri
-UNDOCUMENTED
+Self-explanatory.
E: Pair peri requires an atom map, see atom_modify
diff --git a/src/PERI/pair_peri_pmb.h b/src/PERI/pair_peri_pmb.h
index 4b4d1a7646..3a53351070 100644
--- a/src/PERI/pair_peri_pmb.h
+++ b/src/PERI/pair_peri_pmb.h
@@ -76,7 +76,7 @@ pair_coeff command before running a simulation.
E: Pair style peri requires atom style peri
-UNDOCUMENTED
+Self-explanatory.
E: Pair peri requires an atom map, see atom_modify
diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h
index bc88426e4d..02eac60495 100644
--- a/src/REPLICA/neb.h
+++ b/src/REPLICA/neb.h
@@ -106,7 +106,7 @@ for NEB.
E: Too many timesteps
-UNDOCUMENTED
+The cummulative timesteps must fit in a 64-bit integer.
E: Incorrect format in NEB coordinate file
diff --git a/src/REPLICA/prd.h b/src/REPLICA/prd.h
index 69c3d38e55..0e5b4db5ca 100644
--- a/src/REPLICA/prd.h
+++ b/src/REPLICA/prd.h
@@ -120,7 +120,7 @@ after the PRD simulation.
E: Too many timesteps
-UNDOCUMENTED
+The cummulative timesteps must fit in a 64-bit integer.
E: Cannot use PRD with a time-dependent fix defined
diff --git a/src/REPLICA/tad.h b/src/REPLICA/tad.h
index b9962ad5fa..e5f1c38be8 100644
--- a/src/REPLICA/tad.h
+++ b/src/REPLICA/tad.h
@@ -144,7 +144,7 @@ after the PRD simulation.
E: Too many timesteps
-UNDOCUMENTED
+The cummulative timesteps must fit in a 64-bit integer.
E: Too many iterations
diff --git a/src/REPLICA/temper.h b/src/REPLICA/temper.h
index abda20d76b..e61ee6711c 100644
--- a/src/REPLICA/temper.h
+++ b/src/REPLICA/temper.h
@@ -96,7 +96,7 @@ temperature (nvt or langevin).
E: Too many timesteps
-UNDOCUMENTED
+The cummulative timesteps must fit in a 64-bit integer.
E: Tempering could not find thermo_pe compute
diff --git a/src/REPLICA/verlet_split.h b/src/REPLICA/verlet_split.h
index c75b49d1a4..2ad59a4d4d 100644
--- a/src/REPLICA/verlet_split.h
+++ b/src/REPLICA/verlet_split.h
@@ -57,18 +57,20 @@ class VerletSplit : public Verlet {
E: Verlet/split requires 2 partitions
-UNDOCUMENTED
+See the -partition command-line switch.
E: Verlet/split requires Rspace partition size be multiple of Kspace partition size
-UNDOCUMENTED
+This is so there is an equal number of Rspace processors for every
+Kspace processor.
E: Verlet/split requires Rspace partition layout be multiple of Kspace partition layout in each dim
-UNDOCUMENTED
+This is controlled by the processors command.
W: No Kspace calculation with verlet/split
-UNDOCUMENTED
+The 2nd partition performs a kspace calculation so the kspace_style
+command must be used.
*/
diff --git a/src/SRD/fix_srd.cpp b/src/SRD/fix_srd.cpp
index d18f2bab9b..7cbb604a49 100644
--- a/src/SRD/fix_srd.cpp
+++ b/src/SRD/fix_srd.cpp
@@ -1190,13 +1190,13 @@ void FixSRD::collisions_single()
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
- " bounce %d\n",
+ " bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
else
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
- " bounce %d\n",
+ " bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
error->warning(FLERR,str);
@@ -1344,7 +1344,7 @@ void FixSRD::collisions_multi()
sprintf(str,
"SRD particle %d started "
"inside big particle %d on step " BIGINT_FORMAT
- " bounce %d\n",
+ " bounce %d",
atom->tag[i],atom->tag[j],update->ntimestep,ibounce+1);
if (insideflag == INSIDE_ERROR) error->one(FLERR,str);
error->warning(FLERR,str);
diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h
index a3266ae9f4..4d72e1bade 100644
--- a/src/SRD/fix_srd.h
+++ b/src/SRD/fix_srd.h
@@ -298,7 +298,8 @@ deform needs to be used.
W: Using fix srd with box deformation but no SRD thermostat
-UNDOCUMENTED
+The deformation will heat the SRD particles so this can
+be dangerous.
W: Fix srd SRD moves may trigger frequent reneighboring
@@ -328,17 +329,23 @@ E: Fix SRD: bad bin assignment for SRD advection
Something has gone wrong in your SRD model; try using more
conservative settings.
-E: SRD particle %d started inside big particle %d on step %ld bounce %d\n
+E: SRD particle %d started inside big particle %d on step %ld bounce %d
-UNDOCUMENTED
+See the inside keyword if you want this message to be an error vs
+warning.
+
+W: SRD particle %d started inside big particle %d on step %ld bounce %d
+
+See the inside keyword if you want this message to be an error vs
+warning.
E: Bad quadratic solve for particle/line collision
-UNDOCUMENTED
+This is an internal error. It should nornally not occur.
E: Bad quadratic solve for particle/tri collision
-UNDOCUMENTED
+This is an internal error. It should nornally not occur.
W: Fix srd particle moved outside valid domain
@@ -350,11 +357,11 @@ Big particles must be extended spheriods or ellipsoids.
E: Cannot use lines with fix srd unless overlap is set
-UNDOCUMENTED
+This is because line segements are connected to each other.
E: Cannot use tris with fix srd unless overlap is set
-UNDOCUMENTED
+This is because triangles are connected to each other.
E: Fix srd requires SRD particles all have same mass
@@ -366,11 +373,23 @@ This is not allowed. Make your SRD bin size smaller.
E: SRD bins for fix srd are not cubic enough
-The bin shape is not within tolerance of cubic.
+The bin shape is not within tolerance of cubic. See the cubic
+keyword if you want this message to be an error vs warning.
+
+W: SRD bins for fix srd are not cubic enough
+
+The bin shape is not within tolerance of cubic. See the cubic
+keyword if you want this message to be an error vs warning.
E: SRD bin size for fix srd differs from user request
-Fix SRD had to adjust the bin size to fit the simulation box.
+Fix SRD had to adjust the bin size to fit the simulation box. See the
+cubic keyword if you want this message to be an error vs warning.
+
+W: SRD bin size for fix srd differs from user request
+
+Fix SRD had to adjust the bin size to fit the simulation box. See the
+cubic keyword if you want this message to be an error vs warning.
E: Fix srd lamda must be >= 0.6 of SRD grid size
diff --git a/src/atom.h b/src/atom.h
index 6ddd280f01..111761884b 100644
--- a/src/atom.h
+++ b/src/atom.h
@@ -277,11 +277,13 @@ atoms.
E: Incorrect bonus data format in data file
-UNDOCUMENTED
+See the read_data doc page for a description of how various kinds of
+bonus data must be formatted for certain atom styles.
E: Invalid atom ID in Bonus section of data file
-UNDOCUMENTED
+Atom IDs must be positive integers and within range of defined
+atoms.
E: Invalid atom ID in Bonds section of data file
diff --git a/src/atom_vec_ellipsoid.h b/src/atom_vec_ellipsoid.h
index 36244ad815..2e2e13fbbb 100755
--- a/src/atom_vec_ellipsoid.h
+++ b/src/atom_vec_ellipsoid.h
@@ -114,10 +114,10 @@ Density value cannot be <= 0.0.
E: Assigning ellipsoid parameters to non-ellipsoid atom
-UNDOCUMENTED
+Self-explanatory.
E: Invalid shape in Ellipsoids section of data file
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/atom_vec_line.cpp b/src/atom_vec_line.cpp
index c49cd6b6ad..f98170533c 100644
--- a/src/atom_vec_line.cpp
+++ b/src/atom_vec_line.cpp
@@ -1154,17 +1154,16 @@ void AtomVecLine::consistency_check(int n, char *str)
}
if (iflag) {
- char msg[128];
- sprintf(msg,"BAD VECLINE PTRS: %s: %d %d: %d\n",str,comm->me,
- update->ntimestep,iflag);
- error->one(FLERR,msg);
+ printf("BAD vecline ptrs: %s: %d %d: %d\n",str,comm->me,
+ update->ntimestep,iflag);
+ MPI_Abort(world,1);
}
if (count != nlocal_bonus) {
char msg[128];
- sprintf(msg,"BAD VECLINE COUNT: %s: %d %d: %d %d\n",
- str,comm->me,update->ntimestep,count,nlocal_bonus);
- error->one(FLERR,msg);
+ printf("BAD vecline count: %s: %d %d: %d %d\n",
+ str,comm->me,update->ntimestep,count,nlocal_bonus);
+ MPI_Abort(world,1);
}
}
*/
diff --git a/src/atom_vec_line.h b/src/atom_vec_line.h
index ca35e9be46..38b7aee79b 100644
--- a/src/atom_vec_line.h
+++ b/src/atom_vec_line.h
@@ -99,7 +99,7 @@ class AtomVecLine : public AtomVec {
E: Atom_style line can only be used in 2d simulations
-UNDOCUMENTED
+Self-explanatory.
E: Per-processor system is too big
@@ -120,18 +120,11 @@ Density value cannot be <= 0.0.
E: Assigning line parameters to non-line atom
-UNDOCUMENTED
+Self-explanatory.
E: Inconsistent line segment in data file
-UNDOCUMENTED
-
-E: BAD VECLINE PTRS: %s: %d %d: %d\n
-
-UNDOCUMENTED
-
-E: BAD VECLINE COUNT: %s: %d %d: %d %d\n
-
-UNDOCUMENTED
+The end points of the line segment are not equal distances from the
+center point which is the atom coordinate.
*/
diff --git a/src/atom_vec_tri.h b/src/atom_vec_tri.h
index 61368404e1..10a0743bd5 100644
--- a/src/atom_vec_tri.h
+++ b/src/atom_vec_tri.h
@@ -100,7 +100,7 @@ class AtomVecTri : public AtomVec {
E: Atom_style tri can only be used in 3d simulations
-UNDOCUMENTED
+Self-explanatory.
E: Per-processor system is too big
@@ -121,18 +121,20 @@ Density value cannot be <= 0.0.
E: Assigning tri parameters to non-tri atom
-UNDOCUMENTED
+Self-explanatory.
E: Invalid shape in Triangles section of data file
-UNDOCUMENTED
+Two or more of the triangle corners are duplicate points.
E: Inconsistent triangle in data file
-UNDOCUMENTED
+The centroid of the triangle as defined by the corner points is not
+the atom coordinate.
E: Insufficient Jacobi rotations for triangle
-UNDOCUMENTED
+The calculation of the intertia tensor of the triangle failed. This
+should not happen if it is a reasonably shaped triangle.
*/
diff --git a/src/balance.cpp b/src/balance.cpp
index 45e64ef48f..458b6df23c 100644
--- a/src/balance.cpp
+++ b/src/balance.cpp
@@ -87,8 +87,6 @@ void Balance::command(int narg, char **arg)
// parse arguments
- if (narg < 1) error->all(FLERR,"Illegal balance command");
-
int dimension = domain->dimension;
int *procgrid = comm->procgrid;
xflag = yflag = zflag = NONE;
diff --git a/src/balance.h b/src/balance.h
index c85a4b65c8..16b62d896f 100644
--- a/src/balance.h
+++ b/src/balance.h
@@ -74,30 +74,34 @@ class Balance : protected Pointers {
E: Balance command before simulation box is defined
-UNDOCUMENTED
+The balance command cannot be used before a read_data, read_restart,
+or create_box command.
E: Illegal ... command
-UNDOCUMENTED
+Self-explanatory. Check the input script syntax and compare to the
+documentation for the command. You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
E: Cannot balance in z dimension for 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Balance dynamic string is invalid
-UNDOCUMENTED
+The string can only contain the characters "x", "y", or "z".
E: Balance dynamic string is invalid for 2d simulation
-UNDOCUMENTED
+The string cannot contain the letter "z".
E: Lost atoms via balance: original %ld current %ld
-UNDOCUMENTED
+This should not occur. Report the problem to the developers.
E: Cannot open balance output file
-UNDOCUMENTED
+This error message can only occur if debug options
+are uncommented in src/balance.cpp.
*/
diff --git a/src/change_box.cpp b/src/change_box.cpp
index a47be36665..2b629812cc 100644
--- a/src/change_box.cpp
+++ b/src/change_box.cpp
@@ -277,7 +277,8 @@ void ChangeBox::command(int narg, char **arg)
domain->set_boundary(3,&arg[ops[i].boundindex],1);
if (domain->dimension == 2 && domain->zperiodic == 0)
error->all(FLERR,
- "Cannot run 2d simulation with nonperiodic Z dimension");
+ "Cannot change box z boundary to "
+ "nonperiodic for a 2d simulation");
domain->set_initial_box();
domain->set_global_box();
domain->set_local_box();
@@ -371,7 +372,7 @@ void ChangeBox::command(int narg, char **arg)
bigint natoms;
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
- if (natoms != atom->natoms) {
+ if (natoms != atom->natoms && comm->me == 0) {
char str[128];
sprintf(str,"Lost atoms via change_box: original " BIGINT_FORMAT
" current " BIGINT_FORMAT,atom->natoms,natoms);
diff --git a/src/change_box.h b/src/change_box.h
index ea5ae8993a..10c3810aa4 100644
--- a/src/change_box.h
+++ b/src/change_box.h
@@ -61,7 +61,7 @@ class ChangeBox : protected Pointers {
E: Change_box command before simulation box is defined
-UNDOCUMENTED
+Self-explanatory.
E: Illegal ... command
@@ -71,91 +71,59 @@ command-line option when running LAMMPS to see the offending line.
E: Cannot change_box after reading restart file with per-atom info
-UNDOCUMENTED
+This is because the restart file info cannot be migrated with the
+atoms. You can get around this by performing a 0-timestep run which
+will assign the restart file info to actual atoms.
E: Could not find change_box group ID
-UNDOCUMENTED
+Group ID used in the change_box command does not exist.
E: Cannot change_box in z dimension for 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Change_box volume used incorrectly
-UNDOCUMENTED
+The "dim volume" option must be used immediately following one or two
+settings for "dim1 ..." (and optionally "dim2 ...") and must be for a
+different dimension, i.e. dim != dim1 and dim != dim2.
E: Cannot change_box in xz or yz for 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Use of change_box with undefined lattice
-UNDOCUMENTED
+Must use lattice command with displace_box command if units option is
+set to lattice.
E: Cannot change box tilt factors for orthogonal box
-UNDOCUMENTED
+Cannot use tilt factors unless the simulation box is non-orthogonal.
-E: Cannot run 2d simulation with nonperiodic Z dimension
+E: Cannot change box z boundary to nonperiodic for a 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Cannot change box to orthogonal when tilt is non-zero
-UNDOCUMENTED
+Self-explanatory.
E: Cannot change box ortho/triclinic with dumps defined
-UNDOCUMENTED
+This is because some dumps store the shape of the box. You need to
+use undump to discard the dump, change the box, then redefine a new
+dump.
E: Cannot change box ortho/triclinic with certain fixes defined
-UNDOCUMENTED
+This is because those fixes store the shape of the box. You need to
+use unfix to discard the fix, change the box, then redefine a new
+fix.
W: Lost atoms via change_box: original %ld current %ld
-UNDOCUMENTED
-
-U: Displace_box command before simulation box is defined
-
-Self-explanatory.
-
-U: Cannot displace_box after reading restart file with per-atom info
-
-This is because the restart file info cannot be migrated with the
-atoms. You can get around this by performing a 0-timestep run which
-will assign the restart file info to actual atoms.
-
-U: Could not find displace_box group ID
-
-Group ID used in the displace_box command does not exist.
-
-U: Displace_box tilt factors require triclinic box
-
-Cannot use tilt factors unless the simulation box is
-non-orthogonal.
-
-U: Cannot displace_box on a non-periodic boundary
-
-Self-explanatory.
-
-U: Use of displace_box with undefined lattice
-
-Must use lattice command with displace_box command if units option is
-set to lattice.
-
-U: Fix deform volume setting is invalid
-
-Cannot use volume style unless other dimensions are being controlled.
-
-U: Induced tilt by displace_box is too large
-
-The final tilt value must be between -1/2 and 1/2 of the perpendicular
-box length.
-
-U: Lost atoms via displace_box: original %ld current %ld
-
-UNDOCUMENTED
+The command options you have used caused atoms to be lost.
*/
diff --git a/src/comm.h b/src/comm.h
index 82ba6a063f..a285e80ef5 100644
--- a/src/comm.h
+++ b/src/comm.h
@@ -157,30 +157,33 @@ Specified cutoff must be >= 0.0.
E: Specified processors != physical processors
-UNDOCUMENTED
+The 3d grid of processors defined by the processors command does not
+match the number of processors LAMMPS is being run on.
E: Cannot use processors part command without using partitions
-UNDOCUMENTED
+See the command-line -partition switch.
E: Invalid partitions in processors part command
-UNDOCUMENTED
+Valid partitions are numbered 1 to N and the sender and receiver
+cannot be the same partition.
E: Sending partition in processors part command is already a sender
-UNDOCUMENTED
+Cannot specify a partition to be a sender twice.
E: Receiving partition in processors part command is already a receiver
-UNDOCUMENTED
+Cannot specify a partition to be a receiver twice.
E: Processors grid numa and map style are incompatible
-UNDOCUMENTED
+Using numa for gstyle in the processors command requires using
+cart for the map option.
E: Processors part option and grid style are incompatible
-UNDOCUMENTED
+Cannot use gstyle numa or custom with the part option.
*/
diff --git a/src/compute_erotate_sphere.h b/src/compute_erotate_sphere.h
index ffb5c683df..d325cd0a7c 100644
--- a/src/compute_erotate_sphere.h
+++ b/src/compute_erotate_sphere.h
@@ -50,6 +50,6 @@ command-line option when running LAMMPS to see the offending line.
E: Compute erotate/sphere requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/compute_pair_local.cpp b/src/compute_pair_local.cpp
index af1c415e79..a33232db1b 100644
--- a/src/compute_pair_local.cpp
+++ b/src/compute_pair_local.cpp
@@ -96,7 +96,7 @@ void ComputePairLocal::init()
for (int i = 0; i < nvalues; i++)
if (pstyle[i] == PN && pindex[i] >= force->pair->single_extra)
- error->all(FLERR,"Pair style does not have single field"
+ error->all(FLERR,"Pair style does not have extra field"
" requested by compute pair/local");
// need an occasional half neighbor list
diff --git a/src/compute_pair_local.h b/src/compute_pair_local.h
index bf399002d7..d9ed87d947 100644
--- a/src/compute_pair_local.h
+++ b/src/compute_pair_local.h
@@ -75,10 +75,11 @@ Self-explanatory.
E: Pair style does not support compute pair/local
The pair style does not have a single() function, so it can
-not be invoked by fix bond/swap.
+not be invoked by compute pair/local.
-E: Pair style does not have single field requested by compute pair/local
+E: Pair style does not have extra field requested by compute pair/local
-UNDOCUMENTED
+The pair style does not support the pN value requested by the compute
+pair/local command.
*/
diff --git a/src/compute_reduce.h b/src/compute_reduce.h
index 6fcded7e38..90621ac283 100644
--- a/src/compute_reduce.h
+++ b/src/compute_reduce.h
@@ -96,7 +96,7 @@ Self-explanatory.
E: Compute reduce compute array is accessed out-of-range
-Self-explanatory.
+An index for the array is out of bounds.
E: Compute reduce compute does not calculate a local vector
@@ -124,7 +124,7 @@ Self-explanatory.
E: Compute reduce fix array is accessed out-of-range
-Self-explanatory.
+An index for the array is out of bounds.
E: Compute reduce fix does not calculate a local vector
@@ -148,7 +148,7 @@ Self-explanatory.
E: Fix used in compute reduce not computed at compatible time
-Fixes generate their values on specific timesteps. Compute sum is
+Fixes generate their values on specific timesteps. Compute reduce is
requesting a value on a non-allowed timestep.
*/
diff --git a/src/compute_reduce_region.h b/src/compute_reduce_region.h
index d57a20d05a..d27c9f4f81 100644
--- a/src/compute_reduce_region.h
+++ b/src/compute_reduce_region.h
@@ -43,7 +43,7 @@ class ComputeReduceRegion : public ComputeReduce {
E: Fix used in compute reduce not computed at compatible time
-Fixes generate their values on specific timesteps. Compute sum is
+Fixes generate their values on specific timesteps. Compute reduce is
requesting a value on a non-allowed timestep.
*/
diff --git a/src/compute_slice.h b/src/compute_slice.h
index 3acd5c9662..e837fa945b 100644
--- a/src/compute_slice.h
+++ b/src/compute_slice.h
@@ -56,54 +56,55 @@ command-line option when running LAMMPS to see the offending line.
E: Compute ID for compute slice does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice compute does not calculate a global array
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice compute vector is accessed out-of-range
-UNDOCUMENTED
+The index for the vector is out of bounds.
E: Compute slice compute does not calculate a global vector
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice compute array is accessed out-of-range
-UNDOCUMENTED
+An index for the array is out of bounds.
E: Compute slice compute does not calculate global vector or array
-UNDOCUMENTED
+Self-explanatory.
E: Fix ID for compute slice does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice fix does not calculate a global array
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice fix vector is accessed out-of-range
-UNDOCUMENTED
+The index for the vector is out of bounds.
E: Compute slice fix does not calculate a global vector
-UNDOCUMENTED
+Self-explanatory.
E: Compute slice fix array is accessed out-of-range
-UNDOCUMENTED
+An index for the array is out of bounds.
E: Compute slice fix does not calculate global vector or array
-UNDOCUMENTED
+Self-explanatory.
E: Fix used in compute slice not computed at compatible time
-UNDOCUMENTED
+Fixes generate their values on specific timesteps. Compute slice is
+requesting a value on a non-allowed timestep.
*/
diff --git a/src/compute_temp_sphere.h b/src/compute_temp_sphere.h
index 118e61ee79..47241bd29a 100644
--- a/src/compute_temp_sphere.h
+++ b/src/compute_temp_sphere.h
@@ -60,7 +60,7 @@ command-line option when running LAMMPS to see the offending line.
E: Compute temp/sphere requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Could not find compute ID for temperature bias
diff --git a/src/displace_atoms.cpp b/src/displace_atoms.cpp
index 1793a5e195..a46547078b 100644
--- a/src/displace_atoms.cpp
+++ b/src/displace_atoms.cpp
@@ -211,11 +211,11 @@ void DisplaceAtoms::command(int narg, char **arg)
bigint natoms;
bigint nblocal = atom->nlocal;
MPI_Allreduce(&nblocal,&natoms,1,MPI_LMP_BIGINT,MPI_SUM,world);
- if (natoms != atom->natoms) {
+ if (natoms != atom->natoms && comm->me == 0) {
char str[128];
sprintf(str,"Lost atoms via displace_atoms: original " BIGINT_FORMAT
" current " BIGINT_FORMAT,atom->natoms,natoms);
- error->all(FLERR,str);
+ error->warning(FLERR,str);
}
}
diff --git a/src/displace_atoms.h b/src/displace_atoms.h
index be5921e619..cd46010218 100644
--- a/src/displace_atoms.h
+++ b/src/displace_atoms.h
@@ -67,8 +67,8 @@ E: Use of displace_atoms with undefined lattice
Must use lattice command with displace_atoms command if units option
is set to lattice.
-E: Lost atoms via displace_atoms: original %ld current %ld
+W: Lost atoms via displace_atoms: original %ld current %ld
-UNDOCUMENTED
+The command options you have used caused atoms to be lost.
*/
diff --git a/src/domain.h b/src/domain.h
index 6a34a33456..bf33b6ca5c 100644
--- a/src/domain.h
+++ b/src/domain.h
@@ -170,9 +170,4 @@ E: Both sides of boundary must be periodic
Cannot specify a boundary as periodic only on the lo or hi side. Must
be periodic on both sides.
-U: Triclinic box must be periodic in skewed dimensions
-
-This is a requirement for using a non-orthogonal box. E.g. to set a
-non-zero xy tilt, both x and y must be periodic dimensions.
-
*/
diff --git a/src/dump_cfg.h b/src/dump_cfg.h
index 0f3c35e33b..576448a695 100755
--- a/src/dump_cfg.h
+++ b/src/dump_cfg.h
@@ -50,11 +50,11 @@ class DumpCFG : public DumpCustom {
E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu'
-This is a requirement of the CFG output format. :dd
+This is a requirement of the CFG output format.
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu
-UNDOCUMENTED
+Self-explanatory.
E: Invalid keyword in dump cfg command
diff --git a/src/dump_image.h b/src/dump_image.h
index 23d122a0ff..fe9ad7f13c 100644
--- a/src/dump_image.h
+++ b/src/dump_image.h
@@ -81,11 +81,12 @@ class DumpImage : public DumpCustom {
E: Invalid dump image filename
-UNDOCUMENTED
+The file produced by dump image cannot be binary and must
+be for a single processor.
E: Cannot dump JPG file
-UNDOCUMENTED
+LAMMPS was not built with the -DLAMMPS_JPEG switch in the Makefile.
E: Illegal ... command
@@ -95,102 +96,88 @@ command-line option when running LAMMPS to see the offending line.
E: Dump image bond not allowed with no bond types
-UNDOCUMENTED
+Self-explanatory.
E: Invalid dump image theta value
-UNDOCUMENTED
+Theta must be between 0.0 and 180.0 inclusive.
E: Dump image persp option is not yet supported
-UNDOCUMENTED
+Self-explanatory.
E: Dump image requires one snapshot per file
-UNDOCUMENTED
+Use a "*" in the filename.
E: Dump image cannot perform sorting
-UNDOCUMENTED
+Self-explanatory.
E: Variable name for dump image theta does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for dump image theta is invalid style
-UNDOCUMENTED
+Must be an equal-style variable.
E: Variable name for dump image phi does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for dump image phi is invalid style
-UNDOCUMENTED
+Must be an equal-style variable.
E: Variable name for dump image center does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for dump image center is invalid style
-UNDOCUMENTED
+Must be an equal-style variable.
E: Variable name for dump image zoom does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for dump image zoom is invalid style
-UNDOCUMENTED
+Must be an equal-style variable.
E: Variable name for dump image persp does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for dump image persp is invalid style
-UNDOCUMENTED
+Must be an equal-style variable.
E: Invalid dump image element name
-UNDOCUMENTED
+The specified element name was not in the standard list of elements.
+See the dump_modify doc page.
E: Invalid dump image zoom value
-UNDOCUMENTED
+Zoom value must be > 0.0.
E: Invalid dump image persp value
-UNDOCUMENTED
+Persp value must be >= 0.0.
E: Invalid color in dump_modify command
-UNDOCUMENTED
+The specified color name was not in the list of recognized colors.
+See the dump_modify doc page.
E: Dump modify bcolor not allowed with no bond types
-UNDOCUMENTED
+Self-explanatory.
E: Dump modify bdiam not allowed with no bond types
-UNDOCUMENTED
-
-U: Invalid dump image up vector
-
-UNDOCUMENTED
-
-U: Invalid dump image color range
-
-UNDOCUMENTED
-
-U: Illega dump_modify command
-
-UNDOCUMENTED
-
-U: Invalid color map in dump_modify command
-
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/fix_ave_correlate.h b/src/fix_ave_correlate.h
index 72c9e0f852..cae02b83e4 100644
--- a/src/fix_ave_correlate.h
+++ b/src/fix_ave_correlate.h
@@ -86,15 +86,15 @@ Self-explanatory.
E: Fix ave/correlate compute does not calculate a scalar
-UNDOCUMENTED
+Self-explanatory.
E: Fix ave/correlate compute does not calculate a vector
-UNDOCUMENTED
+Self-explanatory.
E: Fix ave/correlate compute vector is accessed out-of-range
-UNDOCUMENTED
+The index for the vector is out of bounds.
E: Fix ID for fix ave/correlate does not exist
@@ -102,15 +102,15 @@ Self-explanatory.
E: Fix ave/correlate fix does not calculate a scalar
-UNDOCUMENTED
+Self-explanatory.
E: Fix ave/correlate fix does not calculate a vector
-UNDOCUMENTED
+Self-explanatory.
E: Fix ave/correlate fix vector is accessed out-of-range
-UNDOCUMENTED
+The index for the vector is out of bounds.
E: Fix for fix ave/correlate not computed at compatible time
@@ -123,6 +123,6 @@ Self-explanatory.
E: Fix ave/correlate variable is not equal-style variable
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/fix_ave_time.h b/src/fix_ave_time.h
index d6f0f4935d..0423bee3e2 100644
--- a/src/fix_ave_time.h
+++ b/src/fix_ave_time.h
@@ -94,13 +94,11 @@ Self-explantory.
E: Fix ave/time compute does not calculate a scalar
-Only computes that calculate a scalar or vector quantity (not a
-per-atom quantity) can be used with fix ave/time.
+Self-explantory.
E: Fix ave/time compute does not calculate a vector
-Only computes that calculate a scalar or vector quantity (not a
-per-atom quantity) can be used with fix ave/time.
+Self-explantory.
E: Fix ave/time compute vector is accessed out-of-range
@@ -112,15 +110,15 @@ Self-explanatory.
E: Fix ave/time compute array is accessed out-of-range
-Self-explanatory.
+An index for the array is out of bounds.
E: Fix ave/time fix does not calculate a scalar
-A fix used by fix ave/time must generate global values.
+Self-explanatory.
E: Fix ave/time fix does not calculate a vector
-A fix used by fix ave/time must generate global values.
+Self-explanatory.
E: Fix ave/time fix vector is accessed out-of-range
@@ -137,7 +135,7 @@ Self-explanatory.
E: Fix ave/time fix array is accessed out-of-range
-Self-explanatory.
+An index for the array is out of bounds.
E: Variable name for fix ave/time does not exist
@@ -145,7 +143,7 @@ Self-explanatory.
E: Fix ave/time variable is not equal-style variable
-A variable used by fix ave/time must generate a global value.
+Self-explanatory.
E: Fix ave/time cannot use variable with vector mode
diff --git a/src/fix_deform.h b/src/fix_deform.h
index 0fe59ef890..7e5b7acb06 100644
--- a/src/fix_deform.h
+++ b/src/fix_deform.h
@@ -88,11 +88,13 @@ is a triclinic (non-orthogonal) box.
E: Cannot use fix deform on a shrink-wrapped boundary
-UNDOCUMENTED
+The x, y, z options cannot be applied to shrink-wrapped
+dimensions.
E: Cannot use fix deform tilt on a shrink-wrapped 2nd dim
-UNDOCUMENTED
+This is because the shrink-wrapping will change the value
+of the strain implied by the tilt factor.
E: Use of fix deform with undefined lattice
@@ -108,11 +110,11 @@ Only one fix deform can be defined at a time.
E: Variable name for fix deform does not exist
-UNDOCUMENTED
+Self-explantory.
E: Variable for fix deform is invalid style
-UNDOCUMENTED
+The variable must be an equal-style variable.
E: Final box dimension due to fix deform is < 0.0
@@ -124,25 +126,12 @@ The trate style alters the current strain.
E: Fix deform cannot use yz variable with xy
-UNDOCUMENTED
+The yz setting cannot be a variable if xy deformation is also
+specified. This is because LAMMPS cannot determine if the yz setting
+will induce a box flip which would be invalid if xy is also changing.
E: Fix deform is changing yz too much with xy
-UNDOCUMENTED
-
-U: Cannot use fix deform on a non-periodic boundary
-
-When specifying a change is a box dimension, the dimension must be
-periodic.
-
-U: Cannot use fix deform on a 2nd non-periodic boundary
-
-When specifying a tilt factor change, the 2nd of the two dimensions
-must be periodic. E.g. if the xy tilt is specified, then the y
-dimension must be periodic.
-
-U: Fix deform is changing yz by too much with changing xy
-
When both yz and xy are changing, it induces changes in xz if the
box must flip from one tilt extreme to another. Thus it is not
allowed for yz to grow so much that a flip is induced.
diff --git a/src/fix_evaporate.h b/src/fix_evaporate.h
index 11d4b9bf1a..065e92d702 100644
--- a/src/fix_evaporate.h
+++ b/src/fix_evaporate.h
@@ -70,7 +70,8 @@ a list to enable the atom_modify first command.
W: Fix evaporate may delete atom with non-zero molecule ID
-UNDOCUMENTED
+This is probably an error, since you should not delete only one atom
+of a molecule.
E: Fix evaporate molecule requires atom attribute molecule
diff --git a/src/fix_langevin.cpp b/src/fix_langevin.cpp
index 60d18a5106..5d910be462 100644
--- a/src/fix_langevin.cpp
+++ b/src/fix_langevin.cpp
@@ -183,9 +183,9 @@ int FixLangevin::setmask()
void FixLangevin::init()
{
if (oflag && !atom->sphere_flag)
- error->all(FLERR,"Fix langevin omega require atom style sphere");
+ error->all(FLERR,"Fix langevin omega requires atom style sphere");
if (aflag && !atom->ellipsoid_flag)
- error->all(FLERR,"Fix langevin angmom require atom style ellipsoid");
+ error->all(FLERR,"Fix langevin angmom requires atom style ellipsoid");
// check variable
diff --git a/src/fix_langevin.h b/src/fix_langevin.h
index ab078512a9..3f4edecc67 100644
--- a/src/fix_langevin.h
+++ b/src/fix_langevin.h
@@ -86,39 +86,36 @@ The time window for temperature relaxation must be > 0
E: Fix langevin angmom requires atom style ellipsoid
-UNDOCUMENTED
+Self-explanatory.
-E: Fix langevin omega require atom style sphere
+E: Fix langevin omega requires atom style sphere
-UNDOCUMENTED
-
-E: Fix langevin angmom require atom style ellipsoid
-
-UNDOCUMENTED
+Self-explanatory.
E: Variable name for fix langevin does not exist
-UNDOCUMENTED
+Self-explanatory.
E: Variable for fix langevin is invalid style
-UNDOCUMENTED
+It must be an equal-style variable.
E: Fix langevin omega requires extended particles
-UNDOCUMENTED
+One of the particles has radius 0.0.
E: Fix langevin angmom requires extended particles
-UNDOCUMENTED
+This fix option cannot be used with point paritlces.
E: Fix langevin variable returned negative temperature
-UNDOCUMENTED
+Self-explanatory.
E: Cannot zero Langevin force of 0 atoms
-UNDOCUMENTED
+The group has zero atoms, so you cannot request its force
+be zeroed.
E: Could not find fix_modify temperature ID
diff --git a/src/fix_nh.cpp b/src/fix_nh.cpp
index 403d17f688..0eb5505928 100644
--- a/src/fix_nh.cpp
+++ b/src/fix_nh.cpp
@@ -344,7 +344,7 @@ FixNH::FixNH(LAMMPS *lmp, int narg, char **arg) : Fix(lmp, narg, arg)
"with xy dynamics when y is non-periodic dimension");
if (p_flag[3] && scaleyz == 1)
- error->all(FLERR,"Cannot use fix nvt/npt/nph with"
+ error->all(FLERR,"Cannot use fix nvt/npt/nph with "
"both yz dynamics and yz scaling");
if (p_flag[4] && scalexz == 1)
error->all(FLERR,"Cannot use fix nvt/npt/nph with "
@@ -1093,8 +1093,7 @@ void FixNH::remap()
domain->xz = h[4];
domain->xy = h[5];
- // tilt factor to cell length ratio can not exceed TILTMAX
- // in one step
+ // tilt factor to cell length ratio can not exceed TILTMAX in one step
if (domain->yz < -TILTMAX*domain->yprd || domain->yz > TILTMAX*domain->yprd ||
domain->xz < -TILTMAX*domain->xprd || domain->xz > TILTMAX*domain->xprd ||
diff --git a/src/fix_nh.h b/src/fix_nh.h
index 9d0d773528..357eff11cb 100644
--- a/src/fix_nh.h
+++ b/src/fix_nh.h
@@ -46,7 +46,6 @@ class FixNH : public Fix {
double vol0; // reference volume
double t0; // reference temperature
// used for barostat mass
-
double t_start,t_stop;
double t_current,t_target,ke_target;
double t_freq;
@@ -168,27 +167,27 @@ then the y dimension must be periodic.
E: Cannot use fix nvt/npt/nph with yz dynamics when z is non-periodic dimension
-UNDOCUMENTED
+The 2nd dimension in the barostatted tilt factor must be periodic.
E: Cannot use fix nvt/npt/nph with xz dynamics when z is non-periodic dimension
-UNDOCUMENTED
+The 2nd dimension in the barostatted tilt factor must be periodic.
E: Cannot use fix nvt/npt/nph with xy dynamics when y is non-periodic dimension
-UNDOCUMENTED
+The 2nd dimension in the barostatted tilt factor must be periodic.
-E: Cannot use fix nvt/npt/nph withboth yz dynamics and yz scaling
+E: Cannot use fix nvt/npt/nph with both yz dynamics and yz scaling
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use fix nvt/npt/nph with both xz dynamics and xz scaling
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use fix nvt/npt/nph with both xy dynamics and xy scaling
-UNDOCUMENTED
+Self-explanatory.
E: Can not specify Pxy/Pxz/Pyz in fix nvt/npt/nph with non-triclinic box
@@ -217,7 +216,8 @@ Self-explanatory.
E: Fix npt/nph has tilted box too far in one step - periodic cell is too far from equilibrium state
-UNDOCUMENTED
+Self-explanatory. The change in the box tilt is too extreme
+on a short timescale.
E: Could not find fix_modify temperature ID
diff --git a/src/fix_nh_sphere.h b/src/fix_nh_sphere.h
index 925726c7eb..ed360a23c8 100644
--- a/src/fix_nh_sphere.h
+++ b/src/fix_nh_sphere.h
@@ -37,7 +37,7 @@ class FixNHSphere : public FixNH {
E: Fix nvt/nph/npt sphere requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Fix nvt/sphere requires extended particles
diff --git a/src/fix_nve_sphere.h b/src/fix_nve_sphere.h
index 89ffe806e0..4fbb0bfcce 100644
--- a/src/fix_nve_sphere.h
+++ b/src/fix_nve_sphere.h
@@ -51,7 +51,7 @@ command-line option when running LAMMPS to see the offending line.
E: Fix nve/sphere requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Fix nve/sphere requires atom attribute mu
diff --git a/src/fix_restrain.cpp b/src/fix_restrain.cpp
index 723f156282..8c5f2d4990 100644
--- a/src/fix_restrain.cpp
+++ b/src/fix_restrain.cpp
@@ -87,9 +87,9 @@ FixRestrain::FixRestrain(LAMMPS *lmp, int narg, char **arg) :
if (rstyle == DIHEDRAL) {
cos_shift = (double *)
- memory->smalloc(n_bonds * sizeof(double), "restrain:cos_shift");
+ memory->smalloc(n_bonds * sizeof(double),"restrain:cos_shift");
sin_shift = (double *)
- memory->smalloc(n_bonds * sizeof(double), "restrain:sin_shift");
+ memory->smalloc(n_bonds * sizeof(double),"restrain:sin_shift");
for (ibond = 0; ibond < n_bonds; ibond++) {
double my_arg = MY_PI * (180.0 + target[ibond]) / 180.0;
cos_shift[ibond] = cos(my_arg);
diff --git a/src/fix_restrain.h b/src/fix_restrain.h
index 9188b28a5f..3bf774ffa8 100644
--- a/src/fix_restrain.h
+++ b/src/fix_restrain.h
@@ -62,14 +62,17 @@ command-line option when running LAMMPS to see the offending line.
E: Fix restrain requires an atom map, see atom_modify
-UNDOCUMENTED
+Self-explanatory.
E: Restrain atoms %d %d %d %d missing on proc %d at step %ld
-UNDOCUMENTED
+The 4 atoms in a restrain dihedral specified by the fix restrain
+command are not all accessible to a processor. This probably means an
+atom has moved too far.
W: Restrain problem: %d %ld %d %d %d %d
-UNDOCUMENTED
+Conformation of the 4 listed dihedral atoms is extreme; you may want
+to check your simulation geometry.
*/
diff --git a/src/fix_rigid.h b/src/fix_rigid.h
index c8fa8f3c60..b69f87e59c 100644
--- a/src/fix_rigid.h
+++ b/src/fix_rigid.h
@@ -148,15 +148,15 @@ The fix specification did not end up defining any rigid bodies.
E: Fix rigid z force cannot be on for 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Fix rigid xy torque cannot be on for 2d simulation
-UNDOCUMENTED
+Self-explanatory.
E: Fix rigid langevin period must be > 0.0
-UNDOCUMENTED
+Self-explanatory.
E: One or zero atoms in rigid body
diff --git a/src/fix_shake.h b/src/fix_shake.h
index a0727b7cbc..a752357c06 100644
--- a/src/fix_shake.h
+++ b/src/fix_shake.h
@@ -181,19 +181,19 @@ E: Shake atoms %d %d missing on proc %d at step %ld
The 2 atoms in a single shake cluster specified by the fix shake
command are not all accessible to a processor. This probably means
-an atom has moved too far. :dd
+an atom has moved too far.
E: Shake atoms %d %d %d missing on proc %d at step %ld
The 3 atoms in a single shake cluster specified by the fix shake
command are not all accessible to a processor. This probably means
-an atom has moved too far. :dd
+an atom has moved too far.
E: Shake atoms %d %d %d %d missing on proc %d at step %ld
The 4 atoms in a single shake cluster specified by the fix shake
command are not all accessible to a processor. This probably means
-an atom has moved too far. :dd
+an atom has moved too far.
E: Did not find fix shake partner info
diff --git a/src/fix_wall_region.h b/src/fix_wall_region.h
index d1cc21a6a1..15a667af64 100644
--- a/src/fix_wall_region.h
+++ b/src/fix_wall_region.h
@@ -79,11 +79,11 @@ Self-explanatory.
E: Fix wall/region colloid requires atom style sphere
-UNDOCUMENTED
+Self-explanatory.
E: Fix wall/region colloid requires extended particles
-Self-explanatory.
+One of the particles has radius 0.0.
E: Particle on or inside surface of region used in fix wall/region
diff --git a/src/force.h b/src/force.h
index efdca6d1e9..c3f1a31c06 100644
--- a/src/force.h
+++ b/src/force.h
@@ -135,7 +135,9 @@ command-line option when running LAMMPS to see the offending line.
E: Numeric index is out of bounds
-UNDOCUMENTED
+A command with an argument that specifies an integer or range of
+integers is using a value that is less than 1 or greater than the
+maximum allowed limit.
E: Expected floating point parameter in input script or data file
diff --git a/src/image.h b/src/image.h
index 7116294e1b..3474fcee9e 100644
--- a/src/image.h
+++ b/src/image.h
@@ -156,10 +156,10 @@ class Image : protected Pointers {
E: Invalid image up vector
-UNDOCUMENTED
+Up vector cannot be (0,0,0).
E: Invalid image color range
-UNDOCUMENTED
+The lo value in the range is larger than the hi value.
*/
diff --git a/src/input.h b/src/input.h
index 5ecca5a9c4..e3bf57384d 100644
--- a/src/input.h
+++ b/src/input.h
@@ -279,11 +279,13 @@ after a read_data, read_restart, or create_box command.
E: Package command after simulation box is defined
-UNDOCUMENTED
+The package command cannot be used afer a read_data, read_restart, or
+create_box command.
E: Package cuda command without USER-CUDA installed
-UNDOCUMENTED
+The USER-CUDA package must be installed via "make yes-user-cuda"
+before LAMMPS is built.
E: Pair_coeff command before simulation box is defined
diff --git a/src/lammps.h b/src/lammps.h
index 7a6b74d01d..cfc00edb4b 100644
--- a/src/lammps.h
+++ b/src/lammps.h
@@ -69,7 +69,7 @@ the command you are using to launch LAMMPS.
E: Cannot use -reorder after -partition
-UNDOCUMENTED
+Self-explanatory. See doc page discussion of command-line switches.
E: Processor partitions are inconsistent
@@ -83,11 +83,11 @@ The -in command-line option must be used to specify a file.
E: Can only use -pscreen with multiple partitions
-UNDOCUMENTED
+Self-explanatory. See doc page discussion of command-line switches.
E: Can only use -plog with multiple partitions
-UNDOCUMENTED
+Self-explanatory. See doc page discussion of command-line switches.
E: Cannot open universe screen file
@@ -143,14 +143,15 @@ The size of the MPI datatype does not match the size of a bigint.
E: Small, tag, big integers are not sized correctly
-UNDOCUMENTED
+See description of these 3 data types in src/lmptype.h.
E: 64-bit atom IDs are not yet supported
-UNDOCUMENTED
+See description of this data type in src/lmptype.h.
E: Cannot use -cuda on without USER-CUDA installed
-UNDOCUMENTED
+The USER-CUDA package must be installed via "make yes-user-cuda"
+before LAMMPS is built.
*/
diff --git a/src/memory.h b/src/memory.h
index 681af216ab..aa1ec6e197 100644
--- a/src/memory.h
+++ b/src/memory.h
@@ -552,12 +552,12 @@ class Memory : protected Pointers {
E: Failed to allocate %ld bytes for array %s
Your LAMMPS simulation has run out of memory. You need to run a
-smaller simulation or on more processors. :dd
+smaller simulation or on more processors.
E: Failed to reallocate %ld bytes for array %s
Your LAMMPS simulation has run out of memory. You need to run a
-smaller simulation or on more processors. :dd
+smaller simulation or on more processors.
E: Cannot create/grow a vector/array of pointers for %s
diff --git a/src/neigh_bond.h b/src/neigh_bond.h
index c698aad115..a79fa16ef3 100644
--- a/src/neigh_bond.h
+++ b/src/neigh_bond.h
@@ -18,27 +18,27 @@ E: Bond atoms %d %d missing on proc %d at step %ld
One or both of 2 atoms needed to compute a particular bond are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the bond has blown apart and an atom is
-too far away. :dd
+too far away.
E: Angle atoms %d %d %d missing on proc %d at step %ld
One or more of 3 atoms needed to compute a particular angle are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the angle has blown apart and an atom is
-too far away. :dd
+too far away.
E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld
One or more of 4 atoms needed to compute a particular dihedral are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the dihedral has blown apart and an atom is
-too far away. :dd
+too far away.
E: Improper atoms %d %d %d %d missing on proc %d at step %ld
One or more of 4 atoms needed to compute a particular improper are
missing on this processor. Typically this is because the pairwise
cutoff is set too short or the improper has blown apart and an atom is
-too far away. :dd
+too far away.
*/
diff --git a/src/neigh_derive.h b/src/neigh_derive.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_derive.h
+++ b/src/neigh_derive.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_full.h b/src/neigh_full.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_full.h
+++ b/src/neigh_full.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_gran.h b/src/neigh_gran.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_gran.h
+++ b/src/neigh_gran.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_half_bin.h b/src/neigh_half_bin.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_half_bin.h
+++ b/src/neigh_half_bin.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_half_multi.h b/src/neigh_half_multi.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_half_multi.h
+++ b/src/neigh_half_multi.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_half_nsq.h b/src/neigh_half_nsq.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_half_nsq.h
+++ b/src/neigh_half_nsq.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neigh_respa.h b/src/neigh_respa.h
index 06d220eb40..2b9b9d420c 100644
--- a/src/neigh_respa.h
+++ b/src/neigh_respa.h
@@ -15,12 +15,8 @@
E: Neighbor list overflow, boost neigh_modify one
-UNDOCUMENTED
-
-U: Neighbor list overflow, boost neigh_modify one or page
-
There are too many neighbors of a single atom. Use the neigh_modify
-command to increase the neighbor page size and the max number of
-neighbors allowed for one atom.
+command to increase the max number of neighbors allowed for one atom.
+You may also want to boost the page size.
*/
diff --git a/src/neighbor.h b/src/neighbor.h
index 8e7177bb01..36d80fb7e2 100644
--- a/src/neighbor.h
+++ b/src/neighbor.h
@@ -338,7 +338,9 @@ This is a current restriction within LAMMPS.
E: Too many local+ghost atoms for neighbor list
-UNDOCUMENTED
+The number of nlocal + nghost atoms on a processor
+is limited by the size of a 32-bit integer with 2 bits
+removed for masking 1-2, 1-3, 1-4 neighbors.
W: Building an occasional neighobr list when atoms may have moved too far
diff --git a/src/pair_beck.h b/src/pair_beck.h
index 989b1a996e..4fcc99501a 100644
--- a/src/pair_beck.h
+++ b/src/pair_beck.h
@@ -56,14 +56,17 @@ class PairBeck : public Pair {
E: Illegal ... command
-UNDOCUMENTED
+Self-explanatory. Check the input script syntax and compare to the
+documentation for the command. You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
-UNDOCUMENTED
+Self-explanatory. Check the input script or data file.
E: All pair coeffs are not set
-UNDOCUMENTED
+All pair coefficients must be set in the data file or by the
+pair_coeff command before running a simulation.
*/
diff --git a/src/pair_born_coul_wolf.cpp b/src/pair_born_coul_wolf.cpp
index 0b33eb7549..db4a884910 100644
--- a/src/pair_born_coul_wolf.cpp
+++ b/src/pair_born_coul_wolf.cpp
@@ -279,7 +279,7 @@ void PairBornCoulWolf::coeff(int narg, char **arg)
void PairBornCoulWolf::init_style()
{
if (!atom->q_flag)
- error->all(FLERR,"Pair style born/coul/Wolf requires atom attribute q");
+ error->all(FLERR,"Pair style born/coul/wolf requires atom attribute q");
int irequest = neighbor->request(this);
diff --git a/src/pair_born_coul_wolf.h b/src/pair_born_coul_wolf.h
index 0792682a2a..1042e68800 100644
--- a/src/pair_born_coul_wolf.h
+++ b/src/pair_born_coul_wolf.h
@@ -66,9 +66,9 @@ E: Incorrect args for pair coefficients
Self-explanatory. Check the input script or data file.
-E: Pair style born/coul/Wolf requires atom attribute q
+E: Pair style born/coul/wolf requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
E: All pair coeffs are not set
diff --git a/src/pair_coul_wolf.h b/src/pair_coul_wolf.h
index f4b6f37759..d73602ca87 100644
--- a/src/pair_coul_wolf.h
+++ b/src/pair_coul_wolf.h
@@ -64,6 +64,6 @@ Self-explanatory. Check the input script or data file.
E: Pair coul/wolf requires atom attribute q
-UNDOCUMENTED
+The atom style defined does not have this attribute.
*/
diff --git a/src/pair_dpd.h b/src/pair_dpd.h
index b74c0aaf8f..9ee8ead873 100644
--- a/src/pair_dpd.h
+++ b/src/pair_dpd.h
@@ -73,7 +73,7 @@ Use the communicate vel yes command to enable this.
W: Pair dpd needs newton pair on for momentum conservation
-UNDOCUMENTED
+Self-explanatory.
E: All pair coeffs are not set
diff --git a/src/pair_hybrid.h b/src/pair_hybrid.h
index ad1356ec60..61a717e5db 100644
--- a/src/pair_hybrid.h
+++ b/src/pair_hybrid.h
@@ -121,9 +121,4 @@ E: Coulomb cutoffs of pair hybrid sub-styles do not match
If using a Kspace solver, all Coulomb cutoffs of long pair styles must
be the same.
-U: Pair style hybrid cannot use same pair style twice
-
-The sub-style arguments of pair_style hybrid cannot be duplicated.
-Check the input script.
-
*/
diff --git a/src/pair_lj_smooth_linear.h b/src/pair_lj_smooth_linear.h
index c45ca10d77..43d9238a77 100644
--- a/src/pair_lj_smooth_linear.h
+++ b/src/pair_lj_smooth_linear.h
@@ -57,10 +57,12 @@ class PairLJSmoothLinear : public Pair {
E: Illegal ... command
-UNDOCUMENTED
+Self-explanatory. Check the input script syntax and compare to the
+documentation for the command. You can use -echo screen as a
+command-line option when running LAMMPS to see the offending line.
E: Incorrect args for pair coefficients
-UNDOCUMENTED
+Self-explanatory. Check the input script or data file.
*/
diff --git a/src/procmap.cpp b/src/procmap.cpp
index 18e740673c..e7abb8e4da 100644
--- a/src/procmap.cpp
+++ b/src/procmap.cpp
@@ -182,7 +182,7 @@ void ProcMap::numa_grid(int nprocs, int *user_procgrid, int *procgrid,
user_procgrid[0] > 1 || // user specified grid > 1 in any dim
user_procgrid[1] > 1 ||
user_procgrid[2] > 1)
- error->all(FLERR,"Could not create numa 3d grid of processors");
+ error->all(FLERR,"Could not create numa grid of processors");
// user settings for the factorization per numa node
// currently not user settable
@@ -336,7 +336,7 @@ void ProcMap::custom_grid(char *cfile, int nprocs,
if (cmap[i][3] <= 0 || cmap[i][3] > procgrid[2]) flag = 1;
}
}
- if (flag) error->all(FLERR,"Processors custom grid file is invalid");
+ if (flag) error->all(FLERR,"Processors custom grid file is inconsistent");
}
/* ----------------------------------------------------------------------
@@ -653,7 +653,7 @@ void ProcMap::output(char *file, int *procgrid, int ***grid2proc)
FILE *fp;
if (me == 0) {
fp = fopen(file,"w");
- if (fp == NULL) error->one(FLERR,"Cannot open processors custom file");
+ if (fp == NULL) error->one(FLERR,"Cannot open processors output file");
fprintf(fp,"LAMMPS mapping of processors to 3d grid\n");
fprintf(fp,"partition = %d\n",universe->iworld+1);
fprintf(fp,"Px Py Pz = %d %d %d\n",procgrid[0],procgrid[1],procgrid[2]);
diff --git a/src/procmap.h b/src/procmap.h
index 1a4159e09a..d8376040df 100644
--- a/src/procmap.h
+++ b/src/procmap.h
@@ -60,42 +60,41 @@ class ProcMap : protected Pointers {
E: Could not create 3d grid of processors
-UNDOCUMENTED
+The specified constraints did not allow a Px by Py by Pz grid to be
+created where Px * Py * Pz = P = total number of processors.
E: Processors twogrid requires proc count be a multiple of core count
-UNDOCUMENTED
+Self-explanatory.
E: Could not create twolevel 3d grid of processors
-UNDOCUMENTED
-
-E: Could not create numa 3d grid of processors
-
-UNDOCUMENTED
+The specified constraints did not allow this style of grid to be
+created.
E: Could not create numa grid of processors
-UNDOCUMENTED
+The specified constraints did not allow this style of grid to be
+created. Usually this is because the total processor count is not a
+multiple of the cores/node or the user specified processor count is >
+1 in one of the dimensions.
E: Cannot open custom file
-UNDOCUMENTED
+Self-explanatory.
E: Unexpected end of custom file
-UNDOCUMENTED
+Self-explanatory.
E: Processors custom grid file is inconsistent
-UNDOCUMENTED
-
-E: Processors custom grid file is invalid
-
-UNDOCUMENTED
+The vales in the custom file are not consistent with the number of
+processors you are running on or the Px,Py,Pz settings of the
+processors command. Or there was not a setting for every processor.
-E: Cannot open processors custom file
+E: Cannot open processors output file
-UNDOCUMENTED
+Self-explanatory.
*/
diff --git a/src/read_data.h b/src/read_data.h
index 9ef79f7060..cc5d413468 100644
--- a/src/read_data.h
+++ b/src/read_data.h
@@ -100,27 +100,28 @@ section.
E: Invalid data file section: Ellipsoids
-UNDOCUMENTED
+Atom style does not allow ellipsoids.
E: Must read Atoms before Ellipsoids
-UNDOCUMENTED
+The Atoms section of a data file must come before a Ellipsoids
+section.
E: Invalid data file section: Lines
-UNDOCUMENTED
+Atom style does not allow lines.
E: Must read Atoms before Lines
-UNDOCUMENTED
+The Atoms section of a data file must come before a Lines section.
E: Invalid data file section: Triangles
-UNDOCUMENTED
+Atom style does not allow triangles.
E: Must read Atoms before Triangles
-UNDOCUMENTED
+The Atoms section of a data file must come before a Triangles section.
E: Invalid data file section: Bonds
@@ -284,15 +285,15 @@ section. Something is wrong with the format of the data file.
E: No ellipsoids allowed with this atom style
-UNDOCUMENTED
+Self-explanatory. Check data file.
E: No lines allowed with this atom style
-UNDOCUMENTED
+Self-explanatory. Check data file.
E: No triangles allowed with this atom style
-UNDOCUMENTED
+Self-explanatory. Check data file.
E: System in data file is too big
@@ -375,7 +376,8 @@ dihedrals or impropers would be included, but they were not present.
E: Needed bonus data not in data file
-UNDOCUMENTED
+Some atom styles require bonus data. See the read_data doc page for
+details.
E: Cannot open gzipped file
diff --git a/src/run.h b/src/run.h
index 48224f3ecc..8d2b8ad0eb 100644
--- a/src/run.h
+++ b/src/run.h
@@ -71,6 +71,6 @@ Self-explanatory.
E: Too many timesteps
-UNDOCUMENTED
+The cummulative timesteps must fit in a 64-bit integer.
*/
diff --git a/src/set.h b/src/set.h
index 73b9e58834..b1951b4523 100644
--- a/src/set.h
+++ b/src/set.h
@@ -79,23 +79,23 @@ The attribute being set does not exist for the defined atom style.
E: Invalid mass in set command
-UNDOCUMENTED
+Self-explanatory.
E: Invalid shape in set command
-UNDOCUMENTED
+Self-explanatory.
E: Invalid length in set command
-UNDOCUMENTED
+Self-explanatory.
E: Invalid dipole length in set command
-UNDOCUMENTED
+Self-explanatory.
E: Invalid diameter in set command
-UNDOCUMENTED
+Self-explanatory.
E: Cannot set non-zero image flag for non-periodic dimension
@@ -103,7 +103,7 @@ Self-explanatory.
E: Cannot set meso_rho for this atom style
-UNDOCUMENTED
+Self-explanatory.
E: Cannot use set atom with no atom IDs defined
@@ -111,7 +111,7 @@ Atom IDs are not defined, so they cannot be used to identify an atom.
E: Cannot use set mol with no molecule IDs defined
-UNDOCUMENTED
+Self-explanatory.
E: Could not find set group ID
@@ -123,11 +123,11 @@ Region ID specified in set command does not exist.
E: Cannot set quaternion for atom that has none
-UNDOCUMENTED
+Self-explanatory.
E: Cannot set theta for atom that is not a line
-UNDOCUMENTED
+Self-explanatory.
E: Bond atom missing in set command
diff --git a/src/thermo.h b/src/thermo.h
index c1a07ab0bf..ceac5be9cb 100644
--- a/src/thermo.h
+++ b/src/thermo.h
@@ -209,7 +209,7 @@ does not match these timesteps.
E: Could not find thermo variable name
-UNDOCUMENTED
+Self-explanatory.
E: Too many total atoms
@@ -217,7 +217,19 @@ See the setting for bigint in the src/lmptype.h file.
E: Lost atoms: original %ld current %ld
-UNDOCUMENTED
+Lost atoms are checked for each time thermo output is done. See the
+thermo_modify lost command for options. Lost atoms usually indicate
+bad dynamics, e.g. atoms have been blown far out of the simulation
+box, or moved futher than one processor's sub-domain away before
+reneighboring.
+
+W: Lost atoms: original %ld current %ld
+
+Lost atoms are checked for each time thermo output is done. See the
+thermo_modify lost command for options. Lost atoms usually indicate
+bad dynamics, e.g. atoms have been blown far out of the simulation
+box, or moved futher than one processor's sub-domain away before
+reneighboring.
E: Thermo style does not use temp
diff --git a/src/universe.cpp b/src/universe.cpp
index b473c9c794..b9d88ca700 100644
--- a/src/universe.cpp
+++ b/src/universe.cpp
@@ -112,16 +112,16 @@ void Universe::reorder(char *style, char *arg)
sscanf(line,"%d %d",&me_orig,&me_new);
if (me_orig < 0 || me_orig >= nprocs ||
me_new < 0 || me_new >= nprocs)
- error->one(FLERR,"Invalid entry in reorder file");
+ error->one(FLERR,"Invalid entry in -reorder file");
uni2orig[me_new] = me_orig;
for (int i = 1; i < nprocs; i++) {
if (!fgets(line,MAXLINE,fp))
- error->one(FLERR,"Unexpected end of reorder file");
+ error->one(FLERR,"Unexpected end of -reorder file");
sscanf(line,"%d %d",&me_orig,&me_new);
if (me_orig < 0 || me_orig >= nprocs ||
me_new < 0 || me_new >= nprocs)
- error->one(FLERR,"Invalid entry in reorder file");
+ error->one(FLERR,"Invalid entry in -reorder file");
uni2orig[me_new] = me_orig;
}
fclose(fp);
diff --git a/src/universe.h b/src/universe.h
index fafca73834..7d831d0b0b 100644
--- a/src/universe.h
+++ b/src/universe.h
@@ -54,27 +54,23 @@ class Universe : protected Pointers {
E: Invalid -reorder N value
-UNDOCUMENTED
+Self-explanatory.
E: Nprocs not a multiple of N for -reorder
-UNDOCUMENTED
+Self-explanatory.
E: Cannot open -reorder file
-UNDOCUMENTED
+Self-explanatory.
E: Unexpected end of -reorder file
-UNDOCUMENTED
+Self-explanatory.
-E: Invalid entry in reorder file
+E: Invalid entry in -reorder file
-UNDOCUMENTED
-
-E: Unexpected end of reorder file
-
-UNDOCUMENTED
+Self-explanatory.
E: Invalid command-line argument
diff --git a/src/update.h b/src/update.h
index 12f947269e..36b27f22a6 100644
--- a/src/update.h
+++ b/src/update.h
@@ -66,11 +66,11 @@ class Update : protected Pointers {
E: USER-CUDA mode requires CUDA variant of run style
-UNDOCUMENTED
+CUDA mode is enabled, so the run style must include a cuda suffix.
E: USER-CUDA mode requires CUDA variant of min style
-UNDOCUMENTED
+CUDA mode is enabled, so the min style must include a cuda suffix.
E: Illegal ... command
@@ -80,7 +80,7 @@ command-line option when running LAMMPS to see the offending line.
E: Illegal integrate style
-UNDOCUMENTED
+Self-explanatory.
E: Cannot reset timestep with dump file already written to
@@ -106,10 +106,10 @@ are defined.
E: Timestep must be >= 0
-Specified timestep size is invalid.
+Specified timestep is invalid.
E: Too big a timestep
-UNDOCUMENTED
+Specified timestep is too large.
*/
--
GitLab