qmctorch.scf.calculator.pyscf module¶
-
class
qmctorch.scf.calculator.pyscf.
CalculatorPySCF
(atoms, atom_coords, basis, scf, units, molname, savefile)[source]¶ Bases:
qmctorch.scf.calculator.calculator_base.CalculatorBase
qmctorch.scf.calculator.pyscf.
CalculatorPySCF
(atoms, atom_coords, basis, scf, units, molname, savefile)[source]¶Bases: qmctorch.scf.calculator.calculator_base.CalculatorBase