mirror of
https://github.com/LCPQ/quantum_package
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77 lines
2.1 KiB
Fortran
77 lines
2.1 KiB
Fortran
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use bitmasks
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BEGIN_PROVIDER [ integer, N_det_generators_restart ]
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implicit none
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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
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call ezfio_get_determinants_n_det(N_det_generators_restart)
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ifirst = 1
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else
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print*,'PB in generators_restart restart !!!'
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endif
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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
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BEGIN_DOC
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! read wf
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!
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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
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call read_dets(psi_det_generators_restart,N_int,N_det_generators_restart)
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do k = 1, N_int
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ref_generators_restart(k,1) = psi_det_generators_restart(k,1,1)
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ref_generators_restart(k,2) = psi_det_generators_restart(k,2,1)
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enddo
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allocate (psi_coef_read(N_det_generators_restart,N_states))
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call ezfio_get_determinants_psi_coef(psi_coef_read)
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do k = 1, N_states
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do i = 1, N_det_generators_restart
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psi_coef_generators_restart(i,k) = psi_coef_read(i,k)
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enddo
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enddo
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ifirst = 1
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deallocate(psi_coef_read)
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else
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print*,'PB in generators_restart restart !!!'
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endif
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END_PROVIDER
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BEGIN_PROVIDER [ integer, size_select_max]
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implicit none
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BEGIN_DOC
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! Size of the select_max array
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END_DOC
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size_select_max = 10000
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END_PROVIDER
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BEGIN_PROVIDER [ double precision, select_max, (size_select_max) ]
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implicit none
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BEGIN_DOC
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! Memo to skip useless selectors
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END_DOC
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select_max = huge(1.d0)
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END_PROVIDER
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BEGIN_PROVIDER [ integer, N_det_generators ]
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&BEGIN_PROVIDER [ integer(bit_kind), psi_det_generators, (N_int,2,10000) ]
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&BEGIN_PROVIDER [ double precision, psi_coef_generators, (10000,N_states) ]
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END_PROVIDER
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