Loading doc/src/Errors_messages.rst +6 −0 Original line number Diff line number Diff line Loading @@ -4729,6 +4729,12 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` *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. Loading src/molecule.h +8 −0 Original line number Diff line number Diff line Loading @@ -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. Loading Loading
doc/src/Errors_messages.rst +6 −0 Original line number Diff line number Diff line Loading @@ -4729,6 +4729,12 @@ Doc page with :doc:`WARNING messages <Errors_warnings>` *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. Loading
src/molecule.h +8 −0 Original line number Diff line number Diff line Loading @@ -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. Loading
