Summary:
This release contains infrastructure improvements for parsing text, as well as bug fixes for the COMPASS force field as well as the "msifrc2lt.py" converter script.
Infrastructure:
1) Greater consistency with the way wildcards and regular expressions are handled. All rules for generating angles, dihedrals, impropers, and looking up bond types and charge-by-bonds, as well as all pair_coeff, bond_coeff, angle_coeff, dihedral_coeff, and improper_coeffs can accept wildcards and regular expressions (eg "atom:re.c[1-6]") . (NOTE: Regular expressions have not been tested yet, but the infrastructure for supporting them is finally there.)
2) Counter variables ($ and ) can no longer contain , or () characters. (In the future, this will make it much easier to create source code for programming languages. Note to self: The +-=/. characters are still allowed. The / and . characters are used for path resolution and should never be forbidden.)
COMPASS: The "msifrc2lt.py" script has been (hopefully) fixed and is now able to convert the COMPASS force field files again. This made it possible to fix 2 bugs in the "compass_published.lt" force field file: 1) wildcards are now given low priority instead of high priority, and 2) non-hybrid bond, angle, dihedral, improper, and pair styles are used by default (for KOKKOS compatibility). Also: Commas were removed from the atom type names (and replaced with ~ characters).