solvent

emmet.core.qchem.calc_types.utils.solvent(parameters, custom_smd=None)

Returns the solvent used for this calculation.

Return type:

str

Parameters:

• parameters (dict[str, Any])

• custom_smd (str | None)

Args:

parameters: dict of Q-Chem input parameters custom_smd: (Optional) string representing SMD parameters for a non-standard solvent