"wrappers/python/vscode:/vscode.git/clone" did not exist on "697ab72ecb91e5065f35a43c6de03a21aef70f7a"
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Andy Simmonett authored
o Added C12 shift term, to match GMX. o Added tests to compare energies and forces directly to GMX, with and without exclusions. o Modified set/get LJPME parameters to look similar to electrostatic equivalents.
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