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Added Mie and Exp6 FF for gmso FFs #34

Merged

bc118 merged 2 commits into GOMC-WSU:main from bc118:add_mie_type

Oct 14, 2023

Collaborator

bc118 commented Oct 14, 2023

This allows the proper force field (gmso XML file) entry, fitting, and fit checking of the Mie and Exp6 gmso force fields.

Changes:

Added conversion from kcal/mol to K energy units entered in the FF XML for final checking, after the fitting process.
Fixed some typos like kcal_mol to kcal_per_mol

bc118 and others added 2 commits

October 14, 2023 10:12


          Added Mie and Exp FF for gmso FFs.

bc1baa0


          [pre-commit.ci] auto fixes from pre-commit.com hooks

d2e1a8a

for more information, see https://pre-commit.ci

bc118 merged commit 21ed28a into GOMC-WSU:main

5 checks passed

bc118 deleted the add_mie_type branch

August 24, 2024 21:01

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