30 lines
874 B
Fortran
30 lines
874 B
Fortran
double precision function repeat_all_e_corr(key_in)
|
|
implicit none
|
|
integer(bit_kind), intent(in) :: key_in(N_int,2)
|
|
integer :: i,degree
|
|
double precision :: accu
|
|
use bitmasks
|
|
accu = 0.d0
|
|
call get_excitation_degree(key_in,ref_bitmask,degree,N_int)
|
|
if(degree==2)then
|
|
do i = 1, N_det_selectors
|
|
call get_excitation_degree(ref_bitmask,psi_selectors(1,1,i),degree,N_int)
|
|
if(degree.ne.2)cycle
|
|
call get_excitation_degree(key_in,psi_selectors(1,1,i),degree,N_int)
|
|
if (degree<=3)cycle
|
|
accu += E_corr_per_selectors(i)
|
|
enddo
|
|
elseif(degree==1)then
|
|
do i = 1, N_det_selectors
|
|
call get_excitation_degree(ref_bitmask,psi_selectors(1,1,i),degree,N_int)
|
|
if(degree.ne.2)cycle
|
|
call get_excitation_degree(key_in,psi_selectors(1,1,i),degree,N_int)
|
|
if (degree<=2)cycle
|
|
accu += E_corr_per_selectors(i)
|
|
enddo
|
|
endif
|
|
repeat_all_e_corr = accu
|
|
|
|
end
|
|
|