FDDS_Dispersion

class psi4.core.FDDS_Dispersion

Bases: object

docstring

Methods Summary

aux_overlap(…) Obtains the FDDS aux_overlap.
form_unc_amplitude(…) Forms the uncoupled amplitudes for either monomer.
metric(…) Obtains the FDDS metric.
metric_inv(…) Obtains the FDDS metric_inv.
project_densities(…) Projects a density from the primary AO to auxiliary AO space.

Methods Documentation

aux_overlap(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS aux_overlap.

form_unc_amplitude(self: psi4.core.FDDS_Dispersion, arg0: str, arg1: float) → psi4.core.Matrix

Forms the uncoupled amplitudes for either monomer.

metric(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS metric.

metric_inv(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS metric_inv.

project_densities(self: psi4.core.FDDS_Dispersion, arg0: List[psi4.core.Matrix]) → List[psi4.core.Matrix]

Projects a density from the primary AO to auxiliary AO space.

aux_overlap(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS aux_overlap.

form_unc_amplitude(self: psi4.core.FDDS_Dispersion, arg0: str, arg1: float) → psi4.core.Matrix

Forms the uncoupled amplitudes for either monomer.

metric(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS metric.

metric_inv(self: psi4.core.FDDS_Dispersion) → psi4.core.Matrix

Obtains the FDDS metric_inv.

project_densities(self: psi4.core.FDDS_Dispersion, arg0: List[psi4.core.Matrix]) → List[psi4.core.Matrix]

Projects a density from the primary AO to auxiliary AO space.