Dispersion

class psi4.core.Dispersion

Bases: object

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Methods Summary

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, …) docstring
citation((self: psi4.core.Dispersion) -> str) docstring
compute_energy((self: psi4.core.Dispersion, …) docstring
compute_gradient(…) docstring
compute_hessian((self: psi4.core.Dispersion, …) 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, …) docstring
print_gradient((self: psi4.core.Dispersion, …) docstring
print_hessian((self: psi4.core.Dispersion, …) 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, …) Set the BibTeX key for the literature reference.
set_citation((self: psi4.core.Dispersion, …) docstring
set_description((self: psi4.core.Dispersion, …) docstring
set_name((self: psi4.core.Dispersion, …) docstring
sr6((self: psi4.core.Dispersion) -> float) docstring

Methods Documentation

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

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

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

Get the BibTeX key for the literature reference.

build(type: str, s6: float=0.0, p1: float=0.0, p2: float=0.0, p3: float=0.0) → psi4.core.Dispersion

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

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

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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

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d(self: psi4.core.Dispersion) → float

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

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

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

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

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

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

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

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

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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

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

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

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

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

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

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

Get the BibTeX key for the literature reference.

build(type: str, s6: float=0.0, p1: float=0.0, p2: float=0.0, p3: float=0.0) → psi4.core.Dispersion

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

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

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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

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d(self: psi4.core.Dispersion) → float

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

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

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

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

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

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

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

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

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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

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

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

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

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