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molecule template molecule IDs: error docs

This commit is contained in:
jrgissing 2020-03-06 20:40:34 -07:00
parent a70aac2f24
commit e71d298f65
2 changed files with 14 additions and 0 deletions
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6
doc/src/Errors_messages.rst
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@ -4729,6 +4729,12 @@ Doc page with :doc:`WARNING messages <Errors_warnings>`
*Invalid Masses section in molecule file* *Invalid Masses section in molecule file*
Self-explanatory. Self-explanatory.
*Invalid molecule ID in molecule file*
Molecule ID must be a non-zero positive integer.
*Invalid Molecules section in molecule file*
Self-explanatory.
*Invalid REAX atom type* *Invalid REAX atom type*
There is a mis-match between LAMMPS atom types and the elements There is a mis-match between LAMMPS atom types and the elements
listed in the ReaxFF force field file. listed in the ReaxFF force field file.

8
src/molecule.h
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@ -365,6 +365,14 @@ E: Invalid improper type in impropers section of molecule file
Self-explanatory. Self-explanatory.
E: Invalid molecule ID in molecule file
Molecule ID must be a non-zero positive integer.
E: Invalid Molecules section in molecule file
Self-explanatory.
E: Invalid Special Bond Counts section in molecule file E: Invalid Special Bond Counts section in molecule file
Self-explanatory. Self-explanatory.