pydmqmc.utils.get_ex_info
- pydmqmc.utils.get_ex_info(b1, b2, nel)
Return information on the excitations between two states.
This information includes the number of excitations between the states (either single or double), the currently occupied orbitals a & b, the orbitals to be occupied r & s, and the number of permutations associated with the excitation.
- Parameters:
- b1, b2array
The bitarrays of the two states.
- nelint
The number of electrons in the system.
- Returns:
- int
The number of excitations between the two states.
- list
The list of orbitals involved in the excitation. If a single excitation, the list is [a, None, r, None]. If a double excitation, the list is [a, b, r, s].
- int
The number of permutations associated with the excitation.