! --- BEGIN_PROVIDER [double precision, j1e_expo, (j1e_size, nucl_num)] &BEGIN_PROVIDER [double precision, j1e_coef, (j1e_size, nucl_num)] BEGIN_DOC ! ! parameters of the 1e-Jastrow ! END_DOC implicit none logical :: exists integer :: i, j integer :: ierr PROVIDE ezfio_filename ! --- if (mpi_master) then call ezfio_has_jastrow_j1e_expo(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(j1e_expo, (j1e_size*nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_expo with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1e_expo ] <<<<< ..' call ezfio_get_jastrow_j1e_expo(j1e_expo) IRP_IF MPI call MPI_BCAST(j1e_expo, (j1e_size*nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_expo with MPI' endif IRP_ENDIF endif else j1e_expo = 1.d0 call ezfio_set_jastrow_j1e_expo(j1e_expo) endif ! --- if (mpi_master) then call ezfio_has_jastrow_j1e_coef(exists) endif IRP_IF MPI_DEBUG print *, irp_here, mpi_rank call MPI_BARRIER(MPI_COMM_WORLD, ierr) IRP_ENDIF IRP_IF MPI call MPI_BCAST(j1e_coef, (j1e_size*nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_coef with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1e_coef ] <<<<< ..' call ezfio_get_jastrow_j1e_coef(j1e_coef) IRP_IF MPI call MPI_BCAST(j1e_coef, (j1e_size*nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1e_coef with MPI' endif IRP_ENDIF endif else j1e_coef = 0.d0 call ezfio_set_jastrow_j1e_coef(j1e_coef) endif ! --- print *, ' parameters of the 1e-Jastrow' do i = 1, nucl_num print*, ' for Z = ', nucl_charge(i) do j = 1, j1e_size write(*,'(I4, 2x, 2(E15.7, 2X))') j, j1e_coef(j,i), j1e_expo(j,i) enddo enddo END_PROVIDER ! ---