OESmirnoffTypeΒΆ

This namespace contains constants that are used in OESmirnoffParams::Load to define a specific build-in set of paramaters which might be used.

SMIRNOFF99FROSST

SMIRNOFF99FROSST set of parameters

PARSLEY_OPENFF100

Parsley OpenFF1.0.0 set of parameters

PARSLEY_OPENFF111

Parsley OpenFF1.1.1 set of parameters

PARSLEY_OPENFF121

Parsley OpenFF1.2.1 set of parameters

PARSLEY_OPENFF131

Parsley OpenFF1.3.1 set of parameters

SAGE_OPENFF200

Sage OpenFF2.0.0 set of parameters