mirror of
https://github.com/LCPQ/quantum_package
synced 2024-11-08 23:23:57 +01:00
60 lines
1.2 KiB
Fortran
60 lines
1.2 KiB
Fortran
use bitmasks
|
|
|
|
BEGIN_PROVIDER [ integer, N_det_generators ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Read the wave function
|
|
END_DOC
|
|
integer :: i
|
|
integer, save :: ifirst = 0
|
|
double precision :: norm
|
|
read_wf = .True.
|
|
if(ifirst == 0)then
|
|
N_det_generators = N_det
|
|
ifirst = 1
|
|
endif
|
|
call write_int(output_determinants,N_det_generators,'Number of generators')
|
|
END_PROVIDER
|
|
|
|
|
|
BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,psi_det_size) ]
|
|
&BEGIN_PROVIDER [ double precision, psi_coef_generators, (psi_det_size,N_states) ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! read wf
|
|
!
|
|
END_DOC
|
|
integer :: i, k
|
|
integer, save :: ifirst = 0
|
|
if(ifirst == 0)then
|
|
do i=1,N_det_generators
|
|
do k=1,N_int
|
|
psi_det_generators(k,1,i) = psi_det(k,1,i)
|
|
psi_det_generators(k,2,i) = psi_det(k,2,i)
|
|
enddo
|
|
do k = 1, N_states
|
|
psi_coef_generators(i,k) = psi_coef(i,k)
|
|
enddo
|
|
enddo
|
|
ifirst = 1
|
|
endif
|
|
|
|
END_PROVIDER
|
|
|
|
BEGIN_PROVIDER [ integer, size_select_max]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Size of the select_max array
|
|
END_DOC
|
|
size_select_max = 10000
|
|
END_PROVIDER
|
|
|
|
BEGIN_PROVIDER [ double precision, select_max, (size_select_max) ]
|
|
implicit none
|
|
BEGIN_DOC
|
|
! Memo to skip useless selectors
|
|
END_DOC
|
|
select_max = huge(1.d0)
|
|
END_PROVIDER
|
|
|