diff --git a/doc/src/Errors_messages.rst b/doc/src/Errors_messages.rst index 4866de31c6..d4aca3f9aa 100644 --- a/doc/src/Errors_messages.rst +++ b/doc/src/Errors_messages.rst @@ -4729,6 +4729,12 @@ Doc page with :doc:`WARNING messages ` *Invalid Masses section in molecule file* 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* There is a mis-match between LAMMPS atom types and the elements listed in the ReaxFF force field file. diff --git a/src/molecule.h b/src/molecule.h index bc696dab74..fac5202d9f 100644 --- a/src/molecule.h +++ b/src/molecule.h @@ -365,6 +365,14 @@ E: Invalid improper type in impropers section of molecule file 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 Self-explanatory.