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QuantumPackage/src/davidson/input.irp.f
2022-09-07 15:54:47 +02:00

40 lines
1007 B
Fortran

!BEGIN_PROVIDER [ integer, n_states_diag ]
! implicit none
! BEGIN_DOC
!! Number of states to consider during the Davdison diagonalization
! END_DOC
!
! logical :: has
! PROVIDE ezfio_filename
! if (mpi_master) then
!
! call ezfio_has_davidson_n_states_diag(has)
! if (has) then
! call ezfio_get_davidson_n_states_diag(n_states_diag)
! else
! print *, 'davidson/n_states_diag not found in EZFIO file'
! stop 1
! endif
! n_states_diag = max(2,N_states * N_states_diag)
! 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( n_states_diag, 1, MPI_INTEGER, 0, MPI_COMM_WORLD, ierr)
! if (ierr /= MPI_SUCCESS) then
! stop 'Unable to read n_states_diag with MPI'
! endif
! IRP_ENDIF
!
! call write_time(6)
! if (mpi_master) then
! write(6, *) 'Read n_states_diag'
! endif
!
!END_PROVIDER
!