Functional

class psi4.core.Functional

Bases: pybind11_builtins.pybind11_object

docstring

Methods Summary

alpha(self) docstring
build_base(alias) docstring
citation(self) docstring
compute_functional(self, arg0, …) docstring
description(self) docstring
is_gga(self) docstring
is_lrc(self) docstring
is_meta(self) docstring
lsda_cutoff(self) docstring
meta_cutoff(self) docstring
name(self) docstring
omega(self) docstring
print_detail(self, arg0) docstring
print_out(self) docstring
set_alpha(self, arg0) docstring
set_citation(self, arg0) docstring
set_description(self, arg0) docstring
set_gga(self, arg0) docstring
set_lsda_cutoff(self, arg0) docstring
set_meta(self, arg0) docstring
set_meta_cutoff(self, arg0) docstring
set_name(self, arg0) docstring
set_omega(self, arg0) docstring
set_parameter(self, arg0, arg1) docstring

Methods Documentation

alpha(self: psi4.core.Functional) → float

docstring

static build_base(alias: str) → psi4.core.Functional

docstring

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

docstring

compute_functional(self: psi4.core.Functional, arg0: Dict[str, psi4.core.Vector], arg1: Dict[str, psi4.core.Vector], arg2: int, arg3: int) → None

docstring

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

docstring

is_gga(self: psi4.core.Functional) → bool

docstring

is_lrc(self: psi4.core.Functional) → bool

docstring

is_meta(self: psi4.core.Functional) → bool

docstring

lsda_cutoff(self: psi4.core.Functional) → float

docstring

meta_cutoff(self: psi4.core.Functional) → float

docstring

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

docstring

omega(self: psi4.core.Functional) → float

docstring

print_detail(self: psi4.core.Functional, arg0: int) → None

docstring

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

docstring

set_alpha(self: psi4.core.Functional, arg0: float) → None

docstring

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

docstring

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

docstring

set_gga(self: psi4.core.Functional, arg0: bool) → None

docstring

set_lsda_cutoff(self: psi4.core.Functional, arg0: float) → None

docstring

set_meta(self: psi4.core.Functional, arg0: bool) → None

docstring

set_meta_cutoff(self: psi4.core.Functional, arg0: float) → None

docstring

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

docstring

set_omega(self: psi4.core.Functional, arg0: float) → None

docstring

set_parameter(self: psi4.core.Functional, arg0: str, arg1: float) → None

docstring

alpha(self: psi4.core.Functional) → float

docstring

static build_base(alias: str) → psi4.core.Functional

docstring

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

docstring

compute_functional(self: psi4.core.Functional, arg0: Dict[str, psi4.core.Vector], arg1: Dict[str, psi4.core.Vector], arg2: int, arg3: int) → None

docstring

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

docstring

is_gga(self: psi4.core.Functional) → bool

docstring

is_lrc(self: psi4.core.Functional) → bool

docstring

is_meta(self: psi4.core.Functional) → bool

docstring

lsda_cutoff(self: psi4.core.Functional) → float

docstring

meta_cutoff(self: psi4.core.Functional) → float

docstring

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

docstring

omega(self: psi4.core.Functional) → float

docstring

print_detail(self: psi4.core.Functional, arg0: int) → None

docstring

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

docstring

set_alpha(self: psi4.core.Functional, arg0: float) → None

docstring

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

docstring

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

docstring

set_gga(self: psi4.core.Functional, arg0: bool) → None

docstring

set_lsda_cutoff(self: psi4.core.Functional, arg0: float) → None

docstring

set_meta(self: psi4.core.Functional, arg0: bool) → None

docstring

set_meta_cutoff(self: psi4.core.Functional, arg0: float) → None

docstring

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

docstring

set_omega(self: psi4.core.Functional, arg0: float) → None

docstring

set_parameter(self: psi4.core.Functional, arg0: str, arg1: float) → None

docstring