mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-08 07:03:52 +01:00
117 lines
2.3 KiB
Fortran
117 lines
2.3 KiB
Fortran
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! ---
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BEGIN_PROVIDER [ double precision, j1b_pen, (nucl_num) ]
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BEGIN_DOC
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! exponents of the 1-body Jastrow
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END_DOC
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implicit none
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logical :: exists
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PROVIDE ezfio_filename
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if (mpi_master) then
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call ezfio_has_tc_keywords_j1b_pen(exists)
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endif
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IRP_IF MPI_DEBUG
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print *, irp_here, mpi_rank
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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IRP_ENDIF
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IRP_IF MPI
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include 'mpif.h'
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integer :: ierr
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call MPI_BCAST(j1b_pen, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read j1b_pen with MPI'
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endif
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IRP_ENDIF
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if (exists) then
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if (mpi_master) then
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write(6,'(A)') '.. >>>>> [ IO READ: j1b_pen ] <<<<< ..'
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call ezfio_get_tc_keywords_j1b_pen(j1b_pen)
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IRP_IF MPI
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call MPI_BCAST(j1b_pen, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read j1b_pen with MPI'
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endif
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IRP_ENDIF
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endif
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else
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integer :: i
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do i = 1, nucl_num
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j1b_pen(i) = 1d5
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enddo
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endif
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print*,'parameters for nuclei jastrow'
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do i = 1, nucl_num
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print*,'i,Z,j1b_pen(i)',i,nucl_charge(i),j1b_pen(i)
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enddo
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END_PROVIDER
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! ---
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BEGIN_PROVIDER [ double precision, j1b_coeff, (nucl_num) ]
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BEGIN_DOC
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! coefficients of the 1-body Jastrow
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END_DOC
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implicit none
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logical :: exists
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PROVIDE ezfio_filename
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if (mpi_master) then
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call ezfio_has_tc_keywords_j1b_coeff(exists)
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endif
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IRP_IF MPI_DEBUG
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print *, irp_here, mpi_rank
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call MPI_BARRIER(MPI_COMM_WORLD, ierr)
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IRP_ENDIF
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IRP_IF MPI
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include 'mpif.h'
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integer :: ierr
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call MPI_BCAST(j1b_coeff, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read j1b_coeff with MPI'
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endif
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IRP_ENDIF
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if (exists) then
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if (mpi_master) then
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write(6,'(A)') '.. >>>>> [ IO READ: j1b_coeff ] <<<<< ..'
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call ezfio_get_tc_keywords_j1b_coeff(j1b_coeff)
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IRP_IF MPI
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call MPI_BCAST(j1b_coeff, (nucl_num), MPI_DOUBLE_PRECISION, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read j1b_coeff with MPI'
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endif
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IRP_ENDIF
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endif
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else
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integer :: i
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do i = 1, nucl_num
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j1b_coeff(i) = 0d5
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enddo
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endif
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END_PROVIDER
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! ---
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