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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11384 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2014-01-29 23:31:57 +00:00
parent c42f8c43f5
commit c758cc119f
9 changed files with 47 additions and 95 deletions
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8
src/KSPACE/fix_tune_kspace.h
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@ -1,4 +1,4 @@
/* ---------------------------------------------------------------------- ndoc/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
http://lammps.sandia.gov, Sandia National Laboratories http://lammps.sandia.gov, Sandia National Laboratories
Steve Plimpton, sjplimp@sandia.gov 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 E: Cannot use fix tune/kspace without a kspace style
UNDOCUMENTED Self-explanatory.
E: Cannot use fix tune/kspace without a pair style 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 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 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.
*/ */

5
src/MANYBODY/pair_comb3.h
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@ -333,6 +333,11 @@ E: Error in vdw spline: inner radius > outter radius
UNDOCUMENTED UNDOCUMENTED
U: Pair style COMB requires atom IDs U: Pair style COMB requires atom IDs
This is a requirement to use the AIREBO potential. This is a requirement to use the AIREBO potential.

10
src/REPLICA/neb.h
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@ -110,15 +110,15 @@ The cummulative timesteps must fit in a 64-bit integer.
E: Unexpected end of neb file E: Unexpected end of neb file
UNDOCUMENTED A read operation from the file failed.
E: Incorrect atom format in neb file 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 E: Invalid atom IDs in neb file
UNDOCUMENTED An ID in the file was not found in the system.
E: Cannot open gzipped file 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 correct. If the file is a compressed file, also check that the gzip
executable can be found and run. executable can be found and run.
U: Incorrect format in NEB coordinate file
Self-explanatory.
*/ */

2
src/RIGID/fix_rigid.h
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@ -250,7 +250,7 @@ The number of fields per line is not what expected.
E: Invalid rigid body ID in fix rigid file 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. that are defined by the fix rigid command.
E: Cannot open fix rigid restart file %s E: Cannot open fix rigid restart file %s

2
src/RIGID/fix_rigid_small.h
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@ -280,7 +280,7 @@ The number of fields per line is not what expected.
E: Invalid rigid body ID in fix rigid/small file 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. that are defined by the fix rigid/small command.
E: Cannot open fix rigid restart file %s E: Cannot open fix rigid restart file %s

32
src/SRD/fix_srd.h
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@ -337,15 +337,13 @@ conservative settings.
E: SRD particle %ld started inside big particle %ld on step %ld bounce %d 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 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.
W: SRD particle %ld started inside big particle %ld on step %ld bounce %d
UNDOCUMENTED
E: Bad quadratic solve for particle/line collision 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. 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.
*/ */

73
src/neigh_bond.h
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@ -15,11 +15,15 @@
E: Bond atoms %ld %ld missing on proc %d at step %ld 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 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 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 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 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 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 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 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 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 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 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 One or more of 4 atoms needed to compute a particular improper are
missing on this processor. Typically this is because the pairwise 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 cutoff is set too short or the improper has blown apart and an atom is

4
src/output.cpp
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@ -757,9 +757,9 @@ void Output::create_restart(int narg, char **arg)
else multiproc = 0; else multiproc = 0;
if (nfile == 2) { if (nfile == 2) {
if (multiproc && !strchr(arg[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],'%')) 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; int mpiioflag;

6
src/output.h
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@ -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 the currently defined thermo style, and a thermo_style command creates
a new style. 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 E: Both restart files must use MPI-IO or neither
UNDOCUMENTED Self-explanatory.
*/ */