10
0
mirror of https://github.com/LCPQ/quantum_package synced 2024-12-23 21:03:56 +01:00
quantum_package/plugins/Generators_restart/generators.irp.f
Thomas Applencourt 6a91e63cf3 Move into plugins
2015-06-17 18:23:56 +02:00

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