get_excitation Interface

public interface get_excitation

Contents

Module Procedures


Module Procedures

private subroutine get_excitation_old(nI, nJ, IC, exc, tParity)

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nI(nEl)
integer, intent(in) :: nJ(nEl)
integer, intent(in) :: IC
integer, intent(out) :: exc(2,maxExcit)
logical, intent(out) :: tParity

private subroutine get_excitation_new(nI, nJ, IC, exc, tParity)

Create an excitation from nI to nJ where the excitation level is already known.

Arguments

Type IntentOptional Attributes Name
integer, intent(in) :: nI(nEl)

Two Slater determinants in nI format.
integer, intent(in) :: nJ(nEl)

Two Slater determinants in nI format.
integer, intent(in) :: IC

The excitation level. (1=Excite_1_t, 2=Excite_2_t, …)
class(Excitation_t), intent(out), allocatable :: exc

An excitation of type excitation_t. By using select type(exc) one can select the actual type at runtime and statically dispatch as much as possible at compile time.
logical, intent(out) :: tParity

The parity of the excitation.