From c758cc119fae546a3d7913df1abda615133f5e6f Mon Sep 17 00:00:00 2001 From: sjplimp Date: Wed, 29 Jan 2014 23:31:57 +0000 Subject: [PATCH] git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11384 f3b2605a-c512-4ea7-a41b-209d697bcdaa --- src/KSPACE/fix_tune_kspace.h | 8 +--- src/MANYBODY/pair_comb3.h | 5 +++ src/REPLICA/neb.h | 10 ++--- src/RIGID/fix_rigid.h | 2 +- src/RIGID/fix_rigid_small.h | 2 +- src/SRD/fix_srd.h | 32 ++-------------- src/neigh_bond.h | 73 +++++++++++++----------------------- src/output.cpp | 4 +- src/output.h | 6 +-- 9 files changed, 47 insertions(+), 95 deletions(-) diff --git a/src/KSPACE/fix_tune_kspace.h b/src/KSPACE/fix_tune_kspace.h index bd8b0557de..4be6084de0 100644 --- a/src/KSPACE/fix_tune_kspace.h +++ b/src/KSPACE/fix_tune_kspace.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 @@ -95,7 +95,7 @@ command-line option when running LAMMPS to see the offending line. E: Cannot use fix tune/kspace without a kspace style -UNDOCUMENTED +Self-explanatory. E: Cannot use fix tune/kspace without a pair style @@ -106,8 +106,4 @@ E: Bad real space Coulomb cutoff in fix tune/kspace Fix tune/kspace tried to find the optimal real space Coulomb cutoff using the Newton-Rhaphson method, but found a non-positive or NaN cutoff -U: Cannot use fix tune/kspace without kspace - -This fix (tune/kspace) can only be used when a kspace style has been specified. - */ diff --git a/src/MANYBODY/pair_comb3.h b/src/MANYBODY/pair_comb3.h index b15698c85f..fb4bda76ee 100644 --- a/src/MANYBODY/pair_comb3.h +++ b/src/MANYBODY/pair_comb3.h @@ -333,6 +333,11 @@ E: Error in vdw spline: inner radius > outter radius UNDOCUMENTED + + + + + U: Pair style COMB requires atom IDs This is a requirement to use the AIREBO potential. diff --git a/src/REPLICA/neb.h b/src/REPLICA/neb.h index 519edbdd5e..a912cc2e55 100644 --- a/src/REPLICA/neb.h +++ b/src/REPLICA/neb.h @@ -110,15 +110,15 @@ The cummulative timesteps must fit in a 64-bit integer. E: Unexpected end of neb file -UNDOCUMENTED +A read operation from the file failed. E: Incorrect atom format in neb file -UNDOCUMENTED +The number of fields per line is not what expected. E: Invalid atom IDs in neb file -UNDOCUMENTED +An ID in the file was not found in the system. E: Cannot open gzipped file @@ -131,8 +131,4 @@ The specified file cannot be opened. Check that the path and name are correct. If the file is a compressed file, also check that the gzip executable can be found and run. -U: Incorrect format in NEB coordinate file - -Self-explanatory. - */ diff --git a/src/RIGID/fix_rigid.h b/src/RIGID/fix_rigid.h index 8cd543e46a..62adce6e03 100644 --- a/src/RIGID/fix_rigid.h +++ b/src/RIGID/fix_rigid.h @@ -250,7 +250,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid file -The ID does not match the number or an existing ID of rigid bodies +The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid command. E: Cannot open fix rigid restart file %s diff --git a/src/RIGID/fix_rigid_small.h b/src/RIGID/fix_rigid_small.h index 04e61211ce..5b2f5db3c8 100644 --- a/src/RIGID/fix_rigid_small.h +++ b/src/RIGID/fix_rigid_small.h @@ -280,7 +280,7 @@ The number of fields per line is not what expected. E: Invalid rigid body ID in fix rigid/small file -The ID does not match the number or an existing ID of rigid bodies +The ID does not match the number of an existing ID of rigid bodies that are defined by the fix rigid/small command. E: Cannot open fix rigid restart file %s diff --git a/src/SRD/fix_srd.h b/src/SRD/fix_srd.h index fd84a5befb..6fc88d71b6 100644 --- a/src/SRD/fix_srd.h +++ b/src/SRD/fix_srd.h @@ -337,15 +337,13 @@ conservative settings. E: SRD particle %ld started inside big particle %ld on step %ld bounce %d -UNDOCUMENTED +See the inside keyword if you want this message to be an error vs +warning. W: SRD particle %ld started inside big particle %ld on step %ld bounce %d -UNDOCUMENTED - -W: SRD particle %ld started inside big particle %ld on step %ld bounce %d - -UNDOCUMENTED +See the inside keyword if you want this message to be an error vs +warning. E: Bad quadratic solve for particle/line collision @@ -419,26 +417,4 @@ W: Fix srd particles may move > big particle diameter This may cause accuracy problems. -U: SRD particle started inside big particle on step %ld bounce %d - -UNDOCUMENTED - -U: SRD particle started inside big particle on step %ld bounce %d - -UNDOCUMENTED - -U: SRD particle started inside big particle on step %ld bounce %d - -UNDOCUMENTED - -U: 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. - -U: 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. - */ diff --git a/src/neigh_bond.h b/src/neigh_bond.h index a3f5a1d6f8..ad28ab5ac7 100644 --- a/src/neigh_bond.h +++ b/src/neigh_bond.h @@ -15,11 +15,15 @@ E: Bond atoms %ld %ld missing on proc %d at step %ld -UNDOCUMENTED +The 2nd atom needed to compute a particular bond is 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. W: Bond atoms missing at step %ld -UNDOCUMENTED +The 2nd atom needed to compute a particular bond is 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. E: Bond extent > half of periodic box length @@ -29,11 +33,17 @@ it should be defined. E: Angle atoms %ld %ld %ld missing on proc %d at step %ld -UNDOCUMENTED +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. W: Angle atoms missing at step %ld -UNDOCUMENTED +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. E: Angle extent > half of periodic box length @@ -43,11 +53,17 @@ it should be defined. E: Dihedral atoms %ld %ld %ld %ld missing on proc %d at step %ld -UNDOCUMENTED +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. W: Dihedral atoms missing at step %ld -UNDOCUMENTED +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. E: Dihedral/improper extent > half of periodic box length @@ -57,50 +73,13 @@ how it should be defined. E: Improper atoms %ld %ld %ld %ld missing on proc %d at step %ld -UNDOCUMENTED +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. W: Improper atoms missing at step %ld -UNDOCUMENTED - -U: Bond atoms missing on proc %d at step %ld - -UNDOCUMENTED - -U: Angle atoms missing on proc %d at step %ld - -UNDOCUMENTED - -U: Dihedral atoms missing on proc %d at step %ld - -UNDOCUMENTED - -U: Improper atoms missing on proc %d at step %ld - -UNDOCUMENTED - -U: Bond atoms %d %d missing on proc %d at step %ld - -The 2nd atom needed to compute a particular bond is 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. - -U: 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. - -U: 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. - -U: 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 diff --git a/src/output.cpp b/src/output.cpp index 52c3e71f58..6d6be87a91 100644 --- a/src/output.cpp +++ b/src/output.cpp @@ -757,9 +757,9 @@ void Output::create_restart(int narg, char **arg) else multiproc = 0; if (nfile == 2) { if (multiproc && !strchr(arg[2],'%')) - error->all(FLERR,"Both restart files must have '%' or neither"); + error->all(FLERR,"Both restart files must use % or neither"); if (!multiproc && strchr(arg[2],'%')) - error->all(FLERR,"Both restart files must have '%' or neither"); + error->all(FLERR,"Both restart files must use % or neither"); } int mpiioflag; diff --git a/src/output.h b/src/output.h index bf92d31bc8..9274fdd7ee 100644 --- a/src/output.h +++ b/src/output.h @@ -162,12 +162,12 @@ default values. This is because the thermo_modify commmand acts on the currently defined thermo style, and a thermo_style command creates a new style. -E: Both restart files must have '%' or neither +E: Both restart files must use % or neither -UNDOCUMENTED +Self-explanatory. E: Both restart files must use MPI-IO or neither -UNDOCUMENTED +Self-explanatory. */