Dispersion

class psi4.core.Dispersion

Bases: pybind11_builtins.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

a1(self: psi4.core.Dispersion) → float

docstring

a2(self: psi4.core.Dispersion) → float

docstring

bibtex(self: psi4.core.Dispersion) → str

Get the BibTeX key for the literature reference.

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

citation(self: psi4.core.Dispersion) → str

docstring

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

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

docstring

d(self: psi4.core.Dispersion) → float

docstring

description(self: psi4.core.Dispersion) → str

docstring

name(self: psi4.core.Dispersion) → str

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

print_out(self: psi4.core.Dispersion) → None

docstring

s6(self: psi4.core.Dispersion) → float

docstring

s8(self: psi4.core.Dispersion) → float

docstring

set_bibtex(self: psi4.core.Dispersion, arg0: str) → None

Set the BibTeX key for the literature reference.

set_citation(self: psi4.core.Dispersion, arg0: str) → None

docstring

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

docstring

set_name(self: psi4.core.Dispersion, arg0: str) → None

docstring

sr6(self: psi4.core.Dispersion) → float

docstring

a1(self: psi4.core.Dispersion) → float

docstring

a2(self: psi4.core.Dispersion) → float

docstring

bibtex(self: psi4.core.Dispersion) → str

Get the BibTeX key for the literature reference.

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

citation(self: psi4.core.Dispersion) → str

docstring

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

d(self: psi4.core.Dispersion) → float

docstring

description(self: psi4.core.Dispersion) → str

docstring

name(self: psi4.core.Dispersion) → str

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

print_out(self: psi4.core.Dispersion) → None

docstring

s6(self: psi4.core.Dispersion) → float

docstring

s8(self: psi4.core.Dispersion) → float

docstring

set_bibtex(self: psi4.core.Dispersion, arg0: str) → None

Set the BibTeX key for the literature reference.

set_citation(self: psi4.core.Dispersion, arg0: str) → None

docstring

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

docstring

set_name(self: psi4.core.Dispersion, arg0: str) → None

docstring

sr6(self: psi4.core.Dispersion) → float

docstring