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foyer.forcefield.apply
does not carry over atomic_number information from the input structure
#466
opened Sep 28, 2021 by
jennyfothergill
Only create connections if connection type exist while parameterizing
gmso.Topology
#459
opened Aug 31, 2021 by
umesh-timalsina
Add fixed bonds and angles variable/info to xml files, and LJ/could short-range cutoffs?
#446
opened Jul 21, 2021 by
bc118
Use masses defined in the forcefield XMLs instead of common elemental mass for atomistic systems
#426
opened Jun 18, 2021 by
justinGilmer
Hard to assign differing charges to the same elements importing a CIF file
#419
opened May 29, 2021 by
bc118
Foyer Parameterization should not be dependent on package specific data-structures
#386
opened Mar 6, 2021 by
umesh-timalsina
Foyer incompatible with "Foyer XML" files from Siepmann's website
#360
opened Sep 29, 2020 by
chr218
Unify files used in force field validation
good first issue
testing
#309
opened Jan 30, 2020 by
mattwthompson
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Updated in the last three days: updated:>2023-09-19.