`ImplicitSolvent` class#

class AaronTools.theory.ImplicitSolvent(solvent_model, solvent)#

implicit solvent info

__init__(solvent_model, solvent)#

Parameters:

solvent_model (str) – implicit solvent model (e.g. PCM)
solvent (str) – solvent name (e.g. water)

get_gaussian()#: returns dict() with solvent information for gaussian input files

get_orca()#: returns dict() with solvent information for orca input files

get_psi4()#: returns dict() with solvent information for psi4 input files

get_qchem()#: returns dict() with solvent information for qchem input files