! --- program print_j1ecoef_info implicit none my_grid_becke = .True. PROVIDE tc_grid1_a tc_grid1_r my_n_pt_r_grid = tc_grid1_r my_n_pt_a_grid = tc_grid1_a touch my_grid_becke my_n_pt_r_grid my_n_pt_a_grid if(tc_integ_type .eq. "numeric") then my_extra_grid_becke = .True. PROVIDE tc_grid2_a tc_grid2_r my_n_pt_r_extra_grid = tc_grid2_r my_n_pt_a_extra_grid = tc_grid2_a touch my_extra_grid_becke my_n_pt_r_extra_grid my_n_pt_a_extra_grid endif call print_j1ecoef() end ! --- subroutine print_j1ecoef() implicit none integer :: i, j, ij integer :: ierr logical :: exists character(len=10) :: ni, nj double precision, allocatable :: coef_fit2(:) PROVIDE ao_l_char_space allocate(coef_fit2(ao_num*ao_num)) if(mpi_master) then call ezfio_has_jastrow_j1e_coef_ao2(exists) endif IRP_IF MPI_DEBUG print *, irp_here, mpi_rank call MPI_BARRIER(MPI_COMM_WORLD, ierr) IRP_ENDIF IRP_IF MPI include 'mpif.h' call MPI_BCAST(coef_fit2, ao_num*ao_num, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_coef_ao2 with MPI' endif IRP_ENDIF if(exists) then if(mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1e_coef_ao2 ] <<<<< ..' call ezfio_get_jastrow_j1e_coef_ao2(coef_fit2) IRP_IF MPI call MPI_BCAST(coef_fit2, ao_num*ao_num, MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_coef_ao2 with MPI' endif IRP_ENDIF endif else call get_j1e_coef_fit_ao2(ao_num*ao_num, coef_fit2) call ezfio_set_jastrow_j1e_coef_ao2(coef_fit2) endif do i = 1, ao_num write(ni, '(I0)') ao_l(i)+1 do j = 1, ao_num write(nj, '(I0)') ao_l(j)+1 ij = (i-1)*ao_num + j print *, trim(adjustl(ni)) // trim(adjustl(ao_l_char_space(i))), " " & , trim(adjustl(nj)) // trim(adjustl(ao_l_char_space(j))), " " & , dabs(coef_fit2(ij)) enddo ! print *, ' ' enddo deallocate(coef_fit2) return end ! ---