xnn.ffnn.models.oplslib.read_opls#

xnn.ffnn.models.oplslib.read_opls(source, strict=True)[source]#

Read an OPLS parameter library.

Parameters:

source (str or Path) – A .json file in the native format, or a .frc force-field spec understood by find_forcefield(): a variant shipped with xnn by name ("oplsaa", "oplsaa-1996", "lopls", "CL&P", "oplsaa+"), a .frc path, or "<path>.frc:<variant>".
strict (bool, optional) – See from_forcefield().

Returns:

The parsed library.

Return type:

OPLSLibrary