Dispersion¶

class psi4.core.Dispersion¶

Bases: pybind11_object

docstring

Methods Summary

`a1`(self)	docstring
`a2`(self)	docstring
`bibtex`(self)	Get the BibTeX key for the literature reference.
`build`(type[, s6, alpha6, sr6])	Initialize instance capable of computing a dispersion correction of type
`citation`(self)	docstring
`compute_energy`(self, arg0)	docstring
`compute_gradient`(self, arg0)	docstring
`compute_hessian`(self, arg0)	docstring
`d`(self)	docstring
`description`(self)	docstring
`name`(self)	docstring
`print_energy`(self, arg0)	docstring
`print_gradient`(self, arg0)	docstring
`print_hessian`(self, arg0)	docstring
`print_out`(self)	docstring
`s6`(self)	docstring
`s8`(self)	docstring
`set_bibtex`(self, arg0)	Set the BibTeX key for the literature reference.
`set_citation`(self, arg0)	docstring
`set_description`(self, arg0)	docstring
`set_name`(self, arg0)	docstring
`sr6`(self)	docstring

Methods Documentation

bibtex(self: psi4.core.Dispersion) → str¶: Get the BibTeX key for the literature reference.

static build(type: str, s6: float = 0.0, alpha6: float = 0.0, sr6: float = 0.0) → psi4.core.Dispersion¶: Initialize instance capable of computing a dispersion correction of type

compute_energy(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → float¶: docstring

compute_gradient(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → psi4.core.Matrix¶: docstring

compute_hessian(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → psi4.core.Matrix¶: docstring

print_energy(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → str¶: docstring

print_gradient(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → str¶: docstring

print_hessian(self: psi4.core.Dispersion, arg0: psi4.core.Molecule) → str¶: docstring

set_bibtex(self: psi4.core.Dispersion, arg0: str) → None¶: Set the BibTeX key for the literature reference.

set_description(self: psi4.core.Dispersion, arg0: str) → None¶: docstring