Added comments that explain error messages in fix GCMC.

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@7878 f3b2605a-c512-4ea7-a41b-209d697bcdaa
This commit is contained in:
pscrozi 2012-03-01 23:59:26 +00:00
parent a70bf0417c
commit 9d253478b4
1 changed files with 13 additions and 6 deletions

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@ -87,26 +87,33 @@ command-line option when running LAMMPS to see the offending line.
E: Invalid atom type in fix GCMC command
UNDOCUMENTED
Self-explanatory. The atom type specified in the GCMC command does
not exist.
E: Cannot do GCMC on atoms in atom_modify first group
UNDOCUMENTED
This is a restriction due to the way atoms are organized in
a list to enable the atom_modify first command.
W: Fix GCMC 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. The GCMC molecule exchange feature does not yet work.
E: Fix GCMC molecule command requires atom attribute molecule
UNDOCUMENTED
Should not choose the GCMC molecule feature if no molecules
are being simulated. The general molecule flag is off, but
GCMC's molecule flag is on.
E: Fix GCMC molecule feature does not yet work
UNDOCUMENTED
Self-explanatory. Fix GCMC cannot (yet) be used to exchange
molecules, only atoms.
E: Fix GCMC incompatible with given pair_style
UNDOCUMENTED
Self-explanatory. Some pair_styles do not provide single-atom
energies, which are needed by fix GCMC.
*/