! --- BEGIN_PROVIDER [double precision, env_expo, (nucl_num)] &BEGIN_PROVIDER [double precision, env_coef, (nucl_num)] BEGIN_DOC ! ! parameters of the env of the 2e-Jastrow ! END_DOC implicit none logical :: exists integer :: i integer :: ierr PROVIDE ezfio_filename ! --- if (mpi_master) then call ezfio_has_jastrow_env_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(env_expo, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read env_expo with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: env_expo ] <<<<< ..' call ezfio_get_jastrow_env_expo(env_expo) IRP_IF MPI call MPI_BCAST(env_expo, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read env_expo with MPI' endif IRP_ENDIF endif else env_expo = 1d5 call ezfio_set_jastrow_env_expo(env_expo) endif ! --- if (mpi_master) then call ezfio_has_jastrow_env_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(env_coef, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read env_coef with MPI' endif IRP_ENDIF if (exists) then if (mpi_master) then write(6,'(A)') '.. >>>>> [ IO READ: env_coef ] <<<<< ..' call ezfio_get_jastrow_env_coef(env_coef) IRP_IF MPI call MPI_BCAST(env_coef, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr) if (ierr /= MPI_SUCCESS) then stop 'Unable to read env_coef with MPI' endif IRP_ENDIF endif else env_coef = 1d0 call ezfio_set_jastrow_env_coef(env_coef) endif ! --- print *, ' parameters for nuclei jastrow' print *, ' i, Z, env_expo, env_coef' do i = 1, nucl_num write(*,'(I4, 2x, 3(E15.7, 2X))') i, nucl_charge(i), env_expo(i), env_coef(i) enddo END_PROVIDER ! ---