! --- BEGIN_PROVIDER [ double precision, j1b_pen , (nucl_num) ] &BEGIN_PROVIDER [ double precision, j1b_pen_coef, (nucl_num) ] BEGIN_DOC ! parameters of the 1-body Jastrow END_DOC implicit none logical :: exists integer :: i integer :: ierr PROVIDE ezfio_filename ! --- if (mpi_master) then call ezfio_has_tc_keywords_j1b_pen(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(j1b_pen, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_pen with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1b_pen ] <<<<< ..' call ezfio_get_tc_keywords_j1b_pen(j1b_pen) IRP_IF MPI call MPI_BCAST(j1b_pen, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_pen with MPI' endif IRP_ENDIF endif else do i = 1, nucl_num j1b_pen(i) = 1d5 enddo endif ! --- if (mpi_master) then call ezfio_has_tc_keywords_j1b_pen_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(j1b_pen_coef, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_pen_coef with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1b_pen_coef ] <<<<< ..' call ezfio_get_tc_keywords_j1b_pen_coef(j1b_pen_coef) IRP_IF MPI call MPI_BCAST(j1b_pen_coef, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_pen_coef with MPI' endif IRP_ENDIF endif else do i = 1, nucl_num j1b_pen_coef(i) = 1d0 enddo endif ! --- print *, ' parameters for nuclei jastrow' print *, ' i, Z, j1b_pen, j1b_pen_coef' do i = 1, nucl_num write(*,'(I4, 2x, 3(E15.7, 2X))') i, nucl_charge(i), j1b_pen(i), j1b_pen_coef(i) enddo END_PROVIDER ! --- BEGIN_PROVIDER [ double precision, j1b_coeff, (nucl_num) ] BEGIN_DOC ! coefficients of the 1-body Jastrow END_DOC implicit none logical :: exists PROVIDE ezfio_filename if (mpi_master) then call ezfio_has_tc_keywords_j1b_coeff(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' integer :: ierr call MPI_BCAST(j1b_coeff, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_coeff with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: j1b_coeff ] <<<<< ..' call ezfio_get_tc_keywords_j1b_coeff(j1b_coeff) IRP_IF MPI call MPI_BCAST(j1b_coeff, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read j1b_coeff with MPI' endif IRP_ENDIF endif else integer :: i do i = 1, nucl_num j1b_coeff(i) = 0d5 enddo endif END_PROVIDER ! ---