MoldenWriter

class psi4.core.MoldenWriter

Bases: pybind11_builtins.pybind11_object

Writes wavefunction information in molden format

Methods Summary

write(self, filename, Ca, Cb, Ea, Eb, OccA, …)

Writes wavefunction information in molden format

Methods Documentation

write(self: psi4.core.MoldenWriter, filename: str, Ca: psi4.core.Matrix, Cb: psi4.core.Matrix, Ea: psi4.core.Vector, Eb: psi4.core.Vector, OccA: psi4.core.Vector, OccB: psi4.core.Vector, dovirtual: bool) → None

Writes wavefunction information in molden format

write(self: psi4.core.MoldenWriter, filename: str, Ca: psi4.core.Matrix, Cb: psi4.core.Matrix, Ea: psi4.core.Vector, Eb: psi4.core.Vector, OccA: psi4.core.Vector, OccB: psi4.core.Vector, dovirtual: bool) → None

Writes wavefunction information in molden format