MOSpace¶
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class
psi4.core.MOSpace¶ Bases:
pybind11_builtins.pybind11_objectDefines orbital spaces in which to transform integrals
Methods Summary
aIndex(self)Get the alpha orbital indexing array aOrbs(self)Get the alpha orbitals all()bIndex(self)Get the beta orbital indexing array bOrbs(self)Get the beta orbitals dum()fzc()fzv()label(self)Get the unique identifier for this space nil()occ()vir()Methods Documentation
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aIndex(self: psi4.core.MOSpace) → List[int]¶ Get the alpha orbital indexing array
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aOrbs(self: psi4.core.MOSpace) → List[int]¶ Get the alpha orbitals
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all() → psi4.core.MOSpace¶
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bIndex(self: psi4.core.MOSpace) → List[int]¶ Get the beta orbital indexing array
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bOrbs(self: psi4.core.MOSpace) → List[int]¶ Get the beta orbitals
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dum() → psi4.core.MOSpace¶
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fzc() → psi4.core.MOSpace¶
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fzv() → psi4.core.MOSpace¶
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label(self: psi4.core.MOSpace) → str¶ Get the unique identifier for this space
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nil() → psi4.core.MOSpace¶
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occ() → psi4.core.MOSpace¶
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vir() → psi4.core.MOSpace¶
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aIndex(self: psi4.core.MOSpace) → List[int] Get the alpha orbital indexing array
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aOrbs(self: psi4.core.MOSpace) → List[int] Get the alpha orbitals
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all() → psi4.core.MOSpace
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bIndex(self: psi4.core.MOSpace) → List[int] Get the beta orbital indexing array
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bOrbs(self: psi4.core.MOSpace) → List[int] Get the beta orbitals
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dum() → psi4.core.MOSpace
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fzc() → psi4.core.MOSpace
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fzv() → psi4.core.MOSpace
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label(self: psi4.core.MOSpace) → str Get the unique identifier for this space
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nil() → psi4.core.MOSpace
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occ() → psi4.core.MOSpace
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vir() → psi4.core.MOSpace
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