pydmqmc.utils.orb_sym

pydmqmc.utils.orb_sym(orb_syms, mask)

Construct the symmetry of a determinant from its orbitals.

Parameters:

orb_symsarray-like of int

List of the symmetries for the orbitals in the determinant. These should be the bit representations of the point group symmetries’ irreducible representations.

maskint

Mask for extracting the point group symmetry from the full symmetry representation.

Returns:

int

The symmetry of the determinant.

See also

pg_sym_cross_prod

Cross product of two point group symmetries.

pg_sym_conj

Conjugate of a point group symmetry.

pydmqmc.systems.Integral.random_bitarray_symspace

Example use of this function.