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git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7375 f3b2605a-c512-4ea7-a41b-209d697bcdaa

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sjplimp
2011-12-16 19:00:27 +00:00
parent 891740f4a2
commit d99b580613
18 changed files with 64 additions and 26 deletions
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3
src/CLASS2/dihedral_class2.h
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@ -59,7 +59,8 @@ class DihedralClass2 : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Invalid coeffs for this dihedral style E: Invalid coeffs for this dihedral style

3
src/CLASS2/improper_class2.h
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@ -54,7 +54,8 @@ class ImproperClass2 : public Improper {
W: Improper problem: %d %ld %d %d %d %d W: Improper problem: %d %ld %d %d %d %d
UNDOCUMENTED Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
E: Incorrect args for improper coefficients E: Incorrect args for improper coefficients

6
src/MOLECULE/bond_fene.h
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@ -53,7 +53,8 @@ class BondFENE : public Bond {
W: FENE bond too long: %ld %d %d %g W: FENE bond too long: %ld %d %d %g
UNDOCUMENTED A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
E: Bad FENE bond E: Bad FENE bond
@ -70,6 +71,7 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g W: FENE bond too long: %ld %g
UNDOCUMENTED A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
*/ */

6
src/MOLECULE/bond_fene_expand.h
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@ -53,7 +53,8 @@ class BondFENEExpand : public Bond {
W: FENE bond too long: %ld %d %d %g W: FENE bond too long: %ld %d %d %g
UNDOCUMENTED A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
E: Bad FENE bond E: Bad FENE bond
@ -70,6 +71,7 @@ Most FENE models need this setting for the special_bonds command.
W: FENE bond too long: %ld %g W: FENE bond too long: %ld %g
UNDOCUMENTED A FENE bond has stretched dangerously far. It's interaction strength
will be truncated to attempt to prevent the bond from blowing up. :dd
*/ */

3
src/MOLECULE/dihedral_charmm.h
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@ -53,7 +53,8 @@ class DihedralCharmm : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Incorrect args for dihedral coefficients E: Incorrect args for dihedral coefficients

3
src/MOLECULE/dihedral_harmonic.h
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@ -50,7 +50,8 @@ class DihedralHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Incorrect args for dihedral coefficients E: Incorrect args for dihedral coefficients

3
src/MOLECULE/dihedral_helix.h
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@ -49,7 +49,8 @@ class DihedralHelix : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Incorrect args for dihedral coefficients E: Incorrect args for dihedral coefficients

3
src/MOLECULE/dihedral_multi_harmonic.h
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@ -49,7 +49,8 @@ class DihedralMultiHarmonic : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Incorrect args for dihedral coefficients E: Incorrect args for dihedral coefficients

3
src/MOLECULE/dihedral_opls.h
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@ -49,7 +49,8 @@ class DihedralOPLS : public Dihedral {
W: Dihedral problem: %d %ld %d %d %d %d W: Dihedral 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. :dd
E: Incorrect args for dihedral coefficients E: Incorrect args for dihedral coefficients

3
src/MOLECULE/improper_cvff.h
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@ -50,7 +50,8 @@ class ImproperCvff : public Improper {
W: Improper problem: %d %ld %d %d %d %d W: Improper problem: %d %ld %d %d %d %d
UNDOCUMENTED Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
E: Incorrect args for improper coefficients E: Incorrect args for improper coefficients

3
src/MOLECULE/improper_harmonic.h
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@ -49,7 +49,8 @@ class ImproperHarmonic : public Improper {
W: Improper problem: %d %ld %d %d %d %d W: Improper problem: %d %ld %d %d %d %d
UNDOCUMENTED Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
E: Incorrect args for improper coefficients E: Incorrect args for improper coefficients

3
src/MOLECULE/improper_umbrella.h
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@ -49,7 +49,8 @@ class ImproperUmbrella : public Improper {
W: Improper problem: %d %ld %d %d %d %d W: Improper problem: %d %ld %d %d %d %d
UNDOCUMENTED Conformation of the 4 listed improper atoms is extreme; you may want
to check your simulation geometry. :dd
E: Incorrect args for improper coefficients E: Incorrect args for improper coefficients

2
src/SHOCK/fix_append_atoms.cpp
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@ -394,7 +394,7 @@ void FixAppendAtoms::pre_exchange()
nbasis = domain->lattice->nbasis; nbasis = domain->lattice->nbasis;
basistype = new int[nbasis]; basistype = new int[nbasis];
for (int i = 0; i < nbasis; i++) basistype[i] = 1; for (int i = 0; i < nbasis; i++) basistype[i] = 1;
} else error->all(FLERR,"must define lattice to append_atoms"); } else error->all(FLERR,"Must define lattice to append_atoms");
double bboxlo[3],bboxhi[3]; double bboxlo[3],bboxhi[3];

6
src/SHOCK/fix_append_atoms.h
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@ -95,7 +95,11 @@ E: Fix ID for fix ave/spatial does not exist
Self-explanatory. Self-explanatory.
E: must define lattice to append_atoms E: Must define lattice to append_atoms
UNDOCUMENTED
U: must define lattice to append_atoms
UNDOCUMENTED UNDOCUMENTED

2
src/dump_cfg.h
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@ -50,7 +50,7 @@ class DumpCFG : public DumpCustom {
E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu' E: Dump cfg arguments must start with 'id type xs ys zs' or 'id type xsu ysu zsu'
UNDOCUMENTED This is a requirement of the CFG output format. :dd
E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu E: Dump cfg arguments can not mix xs|ys|zs with xsu|ysu|zsu

12
src/fix_shake.h
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@ -179,15 +179,21 @@ types for the 2 bonds in the angle.
E: Shake atoms %d %d missing on proc %d at step %ld E: Shake atoms %d %d missing on proc %d at step %ld
UNDOCUMENTED 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
E: Shake atoms %d %d %d missing on proc %d at step %ld E: Shake atoms %d %d %d missing on proc %d at step %ld
UNDOCUMENTED 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
E: Shake atoms %d %d %d %d missing on proc %d at step %ld E: Shake atoms %d %d %d %d missing on proc %d at step %ld
UNDOCUMENTED 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
E: Did not find fix shake partner info E: Did not find fix shake partner info

6
src/memory.h
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@ -484,11 +484,13 @@ class Memory : protected Pointers {
E: Failed to allocate %ld bytes for array %s E: Failed to allocate %ld bytes for array %s
UNDOCUMENTED Your LAMMPS simulation has run out of memory. You need to run a
smaller simulation or on more processors. :dd
E: Failed to reallocate %ld bytes for array %s E: Failed to reallocate %ld bytes for array %s
UNDOCUMENTED Your LAMMPS simulation has run out of memory. You need to run a
smaller simulation or on more processors. :dd
E: Cannot create/grow a vector/array of pointers for %s E: Cannot create/grow a vector/array of pointers for %s

20
src/neigh_bond.h
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@ -15,18 +15,30 @@
E: Bond atoms %d %d missing on proc %d at step %ld E: Bond atoms %d %d missing on proc %d at step %ld
UNDOCUMENTED 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
E: Angle atoms %d %d %d missing on proc %d at step %ld E: Angle atoms %d %d %d 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. :dd
E: Dihedral atoms %d %d %d %d missing on proc %d at step %ld E: Dihedral atoms %d %d %d %d 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. :dd
E: Improper atoms %d %d %d %d missing on proc %d at step %ld E: Improper atoms %d %d %d %d 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. :dd
*/ */