MOSpace

class psi4.core.MOSpace

Bases: pybind11_builtins.pybind11_object

Defines 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

aIndex(self: psi4.core.MOSpace) → List[int]

Get the alpha orbital indexing array

aOrbs(self: psi4.core.MOSpace) → List[int]

Get the alpha orbitals

static all() → psi4.core.MOSpace
bIndex(self: psi4.core.MOSpace) → List[int]

Get the beta orbital indexing array

bOrbs(self: psi4.core.MOSpace) → List[int]

Get the beta orbitals

static dum() → psi4.core.MOSpace
static fzc() → psi4.core.MOSpace
static fzv() → psi4.core.MOSpace
label(self: psi4.core.MOSpace) → str

Get the unique identifier for this space

static nil() → psi4.core.MOSpace
static occ() → psi4.core.MOSpace
static vir() → psi4.core.MOSpace
aIndex(self: psi4.core.MOSpace) → List[int]

Get the alpha orbital indexing array

aOrbs(self: psi4.core.MOSpace) → List[int]

Get the alpha orbitals

static all() → psi4.core.MOSpace
bIndex(self: psi4.core.MOSpace) → List[int]

Get the beta orbital indexing array

bOrbs(self: psi4.core.MOSpace) → List[int]

Get the beta orbitals

static dum() → psi4.core.MOSpace
static fzc() → psi4.core.MOSpace
static fzv() → psi4.core.MOSpace
label(self: psi4.core.MOSpace) → str

Get the unique identifier for this space

static nil() → psi4.core.MOSpace
static occ() → psi4.core.MOSpace
static vir() → psi4.core.MOSpace