one_particle_dm_ci2 Subroutine

public subroutine one_particle_dm_ci2(ut, occs, csf_c, dm)

computes the one-particle density matrix

Arguments

Type IntentOptional Attributes Name
type(umatrixtable), intent(in) :: ut
integer, intent(in) :: occs(:,:)
real(kind=long), intent(in) :: csf_c(:)
real(kind=long), intent(out) :: dm(size(occs,1),size(occs,1))