LibXCFunctional¶
- class psi4.core.LibXCFunctional¶
Bases:
Functional
docstring
Methods Summary
density_cutoff
(self)docstring
get_mix_data
(self)docstring
query_libxc
(self, arg0)query libxc regarding functional parameters.
set_density_cutoff
(self, arg0)docstring
set_omega
(self, arg0)docstring
set_tweak
(*args, **kwargs)Overloaded function.
Methods Documentation
- density_cutoff(self: psi4.core.LibXCFunctional) float ¶
docstring
- get_mix_data(self: psi4.core.LibXCFunctional) List[Tuple[str, int, float]] ¶
docstring
- query_libxc(self: psi4.core.LibXCFunctional, arg0: str) Dict[str, float] ¶
query libxc regarding functional parameters.
- set_density_cutoff(self: psi4.core.LibXCFunctional, arg0: float) None ¶
docstring
- set_omega(self: psi4.core.LibXCFunctional, arg0: float) None ¶
docstring
- set_tweak(*args, **kwargs)¶
Overloaded function.
set_tweak(self: psi4.core.LibXCFunctional, tweaks: List[float], quiet: bool = False) -> None
Set all tweaks on a LibXC functional through a list. Deprecated in v1.4
set_tweak(self: psi4.core.LibXCFunctional, tweaks: Dict[str, float], quiet: bool = False) -> None
Set all tweaks on a LibXC functional through a dictionary of names (usually underscore prepended) and values. New in v1.4