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quantum_package/plugins/Generators_restart/generators.irp.f

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Fortran
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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
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call write_int(output_determinants,N_det_generators,'Number of generators')
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END_PROVIDER
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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) ]
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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)
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enddo
do k = 1, N_states
psi_coef_generators(i,k) = psi_coef(i,k)
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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