mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-05 05:33:56 +01:00
46 lines
1.6 KiB
Fortran
46 lines
1.6 KiB
Fortran
|
use bitmasks
|
||
|
|
|
||
|
|
BEGIN_PROVIDER [integer(bit_kind), holes_operators, (N_int,2)]
|
||
|
|
&BEGIN_PROVIDER [integer(bit_kind), particles_operators, (N_int,2)]
|
||
|
|
|
||
|
|
BEGIN_DOC
|
||
|
|
! holes_operators represents an array of integers where all the holes have
|
||
|
|
! been done going from psi_ref to psi_non_ref
|
||
|
|
! particles_operators represents an array of integers where all the particles have
|
||
|
|
! been done going from psi_ref to psi_non_ref
|
||
|
|
END_DOC
|
||
|
|
holes_operators = 0_bit_kind
|
||
|
|
particles_operators = 0_bit_kind
|
||
|
|
implicit none
|
||
|
|
integer(bit_kind), allocatable :: key_test(:,:)
|
||
|
|
integer(bit_kind), allocatable :: holes(:,:),particles(:,:)
|
||
|
|
allocate(key_test(N_int,2))
|
||
|
|
allocate(holes(N_int,2),particles(N_int,2))
|
||
|
|
integer :: i,j,k
|
||
|
|
print*,'providing holes_operators and particles_operators'
|
||
|
|
do i = 1, N_det_ref
|
||
|
|
do j = 1, N_det_non_ref
|
||
|
|
do k = 1, N_int
|
||
|
|
key_test(k,1) = xor(psi_ref(k,1,i),psi_non_ref(k,1,j))
|
||
|
|
key_test(k,2) = xor(psi_ref(k,2,i),psi_non_ref(k,2,j))
|
||
|
|
enddo
|
||
|
|
do k = 1,N_int
|
||
|
|
holes(k,1) = iand(psi_ref(k,1,i),key_test(k,1))
|
||
|
|
holes(k,2) = iand(psi_ref(k,2,i),key_test(k,2))
|
||
|
|
particles(k,1) = iand(psi_non_ref(k,1,j),key_test(k,1))
|
||
|
|
particles(k,2) = iand(psi_non_ref(k,2,j),key_test(k,2))
|
||
|
|
enddo
|
||
|
|
do k = 1, N_int
|
||
|
|
holes_operators(k,1) = ior(holes_operators(k,1),holes(k,1))
|
||
|
|
holes_operators(k,2) = ior(holes_operators(k,2),holes(k,2))
|
||
|
|
particles_operators(k,1) = ior(particles_operators(k,1),particles(k,1))
|
||
|
|
particles_operators(k,2) = ior(particles_operators(k,2),particles(k,2))
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
enddo
|
||
|
|
|
||
|
|
deallocate(key_test)
|
||
|
|
deallocate(holes,particles)
|
||
|
|
|
||
|
|
END_PROVIDER
|