psi4.core.OEProp¶
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class
psi4.core.
OEProp
¶ Bases:
psi4.core.Prop
docstring
Methods Summary
Exvals
((self: psi4.core.OEProp) -> List[float])The x component of the field (in a.u.) at each grid point Eyvals
((self: psi4.core.OEProp) -> List[float])The y component of the field (in a.u.) at each grid point Ezvals
((self: psi4.core.OEProp) -> List[float])The z component of the field (in a.u.) at each grid point Vvals
((self: psi4.core.OEProp) -> List[float])The electrostatic potential (in a.u.) at each grid point add
((self: psi4.core.OEProp, arg0: str) -> None)docstring clear
((self: psi4.core.Prop) -> None)docstring compute
((self: psi4.core.OEProp) -> None)docstring set_Da_ao
((self: psi4.core.Prop, ...)docstring set_Da_mo
((self: psi4.core.Prop, ...)docstring set_Da_so
((self: psi4.core.Prop, ...)docstring set_Db_ao
((self: psi4.core.Prop, ...)docstring set_Db_mo
((self: psi4.core.Prop, ...)docstring set_Db_so
((self: psi4.core.Prop, ...)docstring Methods Documentation
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Exvals
(self: psi4.core.OEProp) → List[float]¶ The x component of the field (in a.u.) at each grid point
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Eyvals
(self: psi4.core.OEProp) → List[float]¶ The y component of the field (in a.u.) at each grid point
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Ezvals
(self: psi4.core.OEProp) → List[float]¶ The z component of the field (in a.u.) at each grid point
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Vvals
(self: psi4.core.OEProp) → List[float]¶ The electrostatic potential (in a.u.) at each grid point
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add
(self: psi4.core.OEProp, arg0: str) → None¶ docstring
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clear
(self: psi4.core.Prop) → None¶ docstring
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compute
(self: psi4.core.OEProp) → None¶ docstring
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set_Da_ao
(self: psi4.core.Prop, Da: psi::Matrix, symmetry: int=0) → None¶ docstring
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set_Da_mo
(self: psi4.core.Prop, arg0: psi::Matrix) → None¶ docstring
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set_Da_so
(self: psi4.core.Prop, arg0: psi::Matrix) → None¶ docstring
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set_Db_ao
(self: psi4.core.Prop, Db: psi::Matrix, symmetry: int=0) → None¶ docstring
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set_Db_mo
(self: psi4.core.Prop, arg0: psi::Matrix) → None¶ docstring
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set_Db_so
(self: psi4.core.Prop, arg0: psi::Matrix) → None¶ docstring
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Exvals
(self: psi4.core.OEProp) → List[float] The x component of the field (in a.u.) at each grid point
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Eyvals
(self: psi4.core.OEProp) → List[float] The y component of the field (in a.u.) at each grid point
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Ezvals
(self: psi4.core.OEProp) → List[float] The z component of the field (in a.u.) at each grid point
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Vvals
(self: psi4.core.OEProp) → List[float] The electrostatic potential (in a.u.) at each grid point
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add
(self: psi4.core.OEProp, arg0: str) → None docstring
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clear
(self: psi4.core.Prop) → None docstring
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compute
(self: psi4.core.OEProp) → None docstring
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set_Da_ao
(self: psi4.core.Prop, Da: psi::Matrix, symmetry: int=0) → None docstring
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set_Da_mo
(self: psi4.core.Prop, arg0: psi::Matrix) → None docstring
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set_Da_so
(self: psi4.core.Prop, arg0: psi::Matrix) → None docstring
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set_Db_ao
(self: psi4.core.Prop, Db: psi::Matrix, symmetry: int=0) → None docstring
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set_Db_mo
(self: psi4.core.Prop, arg0: psi::Matrix) → None docstring
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set_Db_so
(self: psi4.core.Prop, arg0: psi::Matrix) → None docstring
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set_title
(self: psi4.core.Prop, arg0: str) → None¶ docstring
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