pyscfad.xtb.param.GFN1Param#
- class pyscfad.xtb.param.GFN1Param(data=None)[source]#
Bases:
PytreeNodeSelected parameters from the GFN1 parameter set
Methods
to_mol_param(mol)- Parameters:
data (dict)
Bases: PytreeNode
Selected parameters from the GFN1 parameter set
Methods
|
data (dict)