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qp2/src/cipsi/update_2rdm.irp.f
2019-07-05 13:36:53 +02:00

14 lines
582 B
Fortran

use bitmasks
subroutine give_2rdm_pert_contrib(det,coef,psi_det_connection,psi_coef_connection,n_det_connection,nkeys,keys,values,sze_buff)
implicit none
integer, intent(in) :: n_det_connection,nkeys
double precision, intent(in) :: coef(N_states)
integer(bit_kind), intent(in) :: det(N_int,2)
integer(bit_kind), intent(in) :: psi_det_connection(N_int,2,n_det_connection)
double precision, intent(in) :: psi_coef_connection(n_det_connection, N_states)
integer, intent(inout) :: keys(4,sze_buff),sze_buff
double precision, intent(inout) :: values(sze_buff)
end