FCHKWriter

class psi4.core.FCHKWriter

Bases: pybind11_builtins.pybind11_object

Extracts information from a wavefunction object, and writes it to an FCHK file

Methods Summary

SCF_Dtot(self)
set_postscf_density_label(self, label)	Set base label for post-SCF density, e.g.
write(self, filename)	Write wavefunction information to file

Methods Documentation

SCF_Dtot(self: psi4.core.FCHKWriter) → psi4.core.Matrix

set_postscf_density_label(self: psi4.core.FCHKWriter, label: str) → None

Set base label for post-SCF density, e.g. ‘ CC Density’.

write(self: psi4.core.FCHKWriter, filename: str) → None

Write wavefunction information to file