subroutine set_generators_to_psi_det implicit none BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det_generators = N_det integer :: i,k print*,'N_det = ',N_det 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 touch N_det_generators psi_coef_generators psi_det_generators end subroutine set_generators_as_input_psi(ndet_input,psi_det_input,psi_coef_input) implicit none integer, intent(in) :: ndet_input integer(bit_kind), intent(in) :: psi_det_input(N_int,2,ndet_input) double precision, intent(in) :: psi_coef_input(ndet_input,N_states) BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det_generators = ndet_input integer :: i,k do i=1,N_det_generators do k=1,N_int psi_det_generators(k,1,i) = psi_det_input(k,1,i) psi_det_generators(k,2,i) = psi_det_input(k,2,i) enddo do k = 1, N_states psi_coef_generators(i,k) = psi_coef_input(i,k) enddo enddo touch N_det_generators psi_coef_generators psi_det_generators end subroutine set_psi_det_as_input_psi(ndet_input,psi_det_input,psi_coef_input) implicit none integer, intent(in) :: ndet_input integer(bit_kind), intent(in) :: psi_det_input(N_int,2,ndet_input) double precision, intent(in) :: psi_coef_input(ndet_input,N_states) BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det= ndet_input if (psi_det_size < N_det) then psi_det_size = N_det TOUCH psi_det_size endif integer :: i,k do i=1,N_det do k=1,N_int psi_det(k,1,i) = psi_det_input(k,1,i) psi_det(k,2,i) = psi_det_input(k,2,i) enddo do k = 1, N_states psi_coef(i,k) = psi_coef_input(i,k) enddo enddo soft_touch N_det psi_coef psi_det end subroutine set_psi_det_to_generators implicit none BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det= N_det_generators integer :: i,k do i = 1, psi_det_size do k=1,N_int psi_det(k,1,i) = 0_bit_kind psi_det(k,2,i) = 0_bit_kind enddo do k = 1, N_states psi_coef(i,k) = 0.d0 enddo enddo do i=1,N_det_generators do k=1,N_int psi_det(k,1,i) = psi_det_generators(k,1,i) psi_det(k,2,i) = psi_det_generators(k,2,i) enddo do k = 1, N_states psi_coef(i,k) = psi_coef_generators(i,k) enddo enddo touch N_det psi_coef psi_det end subroutine set_generators_to_generators_restart implicit none BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det_generators = N_det_generators_restart integer :: i,k do i=1,N_det_generators do k=1,N_int psi_det_generators(k,1,i) = psi_det_generators_restart(k,1,i) psi_det_generators(k,2,i) = psi_det_generators_restart(k,2,i) enddo do k = 1, N_states psi_coef_generators(i,k) = psi_coef_generators_restart(i,k) enddo enddo touch N_det_generators psi_coef_generators psi_det_generators end subroutine set_psi_det_to_generators_restart implicit none BEGIN_DOC ! subroutines that sets psi_det_generators to ! the current psi_det END_DOC N_det = N_det_generators_restart integer :: i,k do i=1,N_det_generators do k=1,N_int psi_det(k,1,i) = psi_det_generators_restart(k,1,i) psi_det(k,2,i) = psi_det_generators_restart(k,2,i) enddo do k = 1, N_states psi_coef(i,k) = psi_coef_generators_restart(i,k) enddo enddo touch N_det psi_coef psi_det end