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quantum_package/plugins/FOBOCI/generators_restart_save.irp.f

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use bitmasks
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BEGIN_PROVIDER [ integer, N_det_generators_restart ]
implicit none
BEGIN_DOC
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! Read the wave function
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END_DOC
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integer :: i
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integer, save :: ifirst = 0
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double precision :: norm
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print*, ' Providing N_det_generators_restart'
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if(ifirst == 0)then
call ezfio_get_determinants_n_det(N_det_generators_restart)
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ifirst = 1
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else
print*,'PB in generators_restart restart !!!'
endif
call write_int(output_determinants,N_det_generators_restart,'Number of generators_restart')
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END_PROVIDER
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BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators_restart, (N_int,2,N_det_generators_restart) ]
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&BEGIN_PROVIDER [ integer(bit_kind), ref_generators_restart, (N_int,2) ]
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&BEGIN_PROVIDER [ double precision, psi_coef_generators_restart, (N_det_generators_restart,N_states) ]
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implicit none
BEGIN_DOC
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! read wf
!
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END_DOC
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integer :: i, k
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integer, save :: ifirst = 0
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double precision, allocatable :: psi_coef_read(:,:)
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print*, ' Providing psi_det_generators_restart'
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if(ifirst == 0)then
call read_dets(psi_det_generators_restart,N_int,N_det_generators_restart)
do k = 1, N_int
ref_generators_restart(k,1) = psi_det_generators_restart(k,1,1)
ref_generators_restart(k,2) = psi_det_generators_restart(k,2,1)
enddo
allocate (psi_coef_read(N_det_generators_restart,N_states))
call ezfio_get_determinants_psi_coef(psi_coef_read)
do k = 1, N_states
do i = 1, N_det_generators_restart
psi_coef_generators_restart(i,k) = psi_coef_read(i,k)
enddo
enddo
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ifirst = 1
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deallocate(psi_coef_read)
else
print*,'PB in generators_restart restart !!!'
endif
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END_PROVIDER
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BEGIN_PROVIDER [ integer, size_select_max]
implicit none
BEGIN_DOC
! Size of the select_max array
END_DOC
size_select_max = 10000
END_PROVIDER
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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
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BEGIN_PROVIDER [ integer, N_det_generators ]
&BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,10000) ]
&BEGIN_PROVIDER [ double precision, psi_coef_generators, (10000,N_states) ]
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END_PROVIDER