2015-03-19 21:14:52 +01:00
|
|
|
use bitmasks
|
2016-03-11 23:27:39 +01:00
|
|
|
|
2015-03-19 21:14:52 +01:00
|
|
|
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
|
|
|
|
|
if(ifirst == 0)then
|
2016-03-11 23:27:39 +01:00
|
|
|
call ezfio_get_determinants_n_det(N_det_generators)
|
2015-03-19 21:14:52 +01:00
|
|
|
ifirst = 1
|
2016-03-11 23:27:39 +01:00
|
|
|
else
|
|
|
|
|
print*,'PB in generators restart !!!'
|
2015-03-19 21:14:52 +01:00
|
|
|
endif
|
2015-04-20 10:12:08 +02:00
|
|
|
call write_int(output_determinants,N_det_generators,'Number of generators')
|
2015-03-19 21:14:52 +01:00
|
|
|
END_PROVIDER
|
|
|
|
|
|
|
|
|
|
|
2016-03-11 23:27:39 +01:00
|
|
|
BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,N_det_generators) ]
|
|
|
|
|
&BEGIN_PROVIDER [ double precision, psi_coef_generators, (N_det_generators,N_states) ]
|
2015-03-19 21:14:52 +01:00
|
|
|
implicit none
|
|
|
|
|
BEGIN_DOC
|
|
|
|
|
! read wf
|
|
|
|
|
!
|
|
|
|
|
END_DOC
|
|
|
|
|
integer :: i, k
|
|
|
|
|
integer, save :: ifirst = 0
|
2016-03-11 23:27:39 +01:00
|
|
|
double precision, allocatable :: psi_coef_read(:,:)
|
2015-03-19 21:14:52 +01:00
|
|
|
if(ifirst == 0)then
|
2016-03-11 23:27:39 +01:00
|
|
|
call read_dets(psi_det_generators,N_int,N_det_generators)
|
|
|
|
|
allocate (psi_coef_read(N_det_generators,N_states))
|
|
|
|
|
call ezfio_get_determinants_psi_coef(psi_coef_read)
|
2015-03-19 21:14:52 +01:00
|
|
|
do k = 1, N_states
|
2016-03-11 23:27:39 +01:00
|
|
|
do i = 1, N_det_generators
|
|
|
|
|
psi_coef_generators(i,k) = psi_coef_read(i,k)
|
|
|
|
|
enddo
|
2015-03-19 21:14:52 +01:00
|
|
|
enddo
|
|
|
|
|
ifirst = 1
|
2016-03-11 23:27:39 +01:00
|
|
|
deallocate(psi_coef_read)
|
|
|
|
|
else
|
|
|
|
|
print*,'PB in generators restart !!!'
|
2015-03-19 21:14:52 +01:00
|
|
|
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
|
|
|
|
|
|
