2023-03-15 10:23:48 +01:00
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! ---
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2019-01-25 11:39:31 +01:00
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BEGIN_PROVIDER [ integer, n_states_diag ]
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implicit none
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BEGIN_DOC
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! Number of states to consider during the Davdison diagonalization
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END_DOC
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logical :: has
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PROVIDE ezfio_filename
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if (mpi_master) then
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2023-03-15 10:23:48 +01:00
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call ezfio_has_davidson_keywords_n_states_diag(has)
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2019-01-25 11:39:31 +01:00
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if (has) then
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2023-03-15 10:23:48 +01:00
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call ezfio_get_davidson_keywords_n_states_diag(n_states_diag)
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2019-01-25 11:39:31 +01:00
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else
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2023-03-15 10:23:48 +01:00
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print *, 'davidson_keywords/n_states_diag not found in EZFIO file'
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2019-01-25 11:39:31 +01:00
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stop 1
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endif
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2019-11-18 13:21:51 +01:00
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n_states_diag = max(2,N_states * N_states_diag)
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2019-01-25 11:39:31 +01:00
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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( n_states_diag, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
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if (ierr /= MPI_SUCCESS) then
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stop 'Unable to read n_states_diag with MPI'
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endif
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IRP_ENDIF
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END_PROVIDER
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2023-03-15 10:23:48 +01:00
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! ---
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