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