Functional

class psi4.core.Functional

Bases: object

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Methods Summary

alpha((self: psi4.core.Functional) -> float) docstring
build_base((alias: str) -> psi4.core.Functional) docstring
citation((self: psi4.core.Functional) -> str) docstring
compute_functional(…) 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(…) docstring
meta_cutoff(…) docstring
name((self: psi4.core.Functional) -> str) docstring
omega((self: psi4.core.Functional) -> float) docstring
print_detail((self: psi4.core.Functional, …) docstring
print_out((self: psi4.core.Functional) -> None) docstring
set_alpha((self: psi4.core.Functional, …) docstring
set_citation((self: psi4.core.Functional, …) docstring
set_description((self: psi4.core.Functional, …) docstring
set_gga((self: psi4.core.Functional, …) docstring
set_lsda_cutoff((self: psi4.core.Functional, …) docstring
set_meta((self: psi4.core.Functional, …) docstring
set_meta_cutoff((self: psi4.core.Functional, …) docstring
set_name((self: psi4.core.Functional, …) docstring
set_omega((self: psi4.core.Functional, …) docstring
set_parameter((self: psi4.core.Functional, …) docstring

Methods Documentation

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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