FCHKWriter¶
- class psi4.core.FCHKWriter¶
Bases:
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