mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-11-13 08:53:38 +01:00
34 lines
825 B
Fortran
34 lines
825 B
Fortran
|
BEGIN_PROVIDER [ logical, use_cosgtos ]
|
||
|
|
implicit none
|
||
|
|
BEGIN_DOC
|
||
|
|
! If true, use cosgtos for AO integrals
|
||
|
|
END_DOC
|
||
|
|
|
||
|
|
logical :: has
|
||
|
|
PROVIDE ezfio_filename
|
||
|
|
if (mpi_master) then
|
||
|
|
call ezfio_has_ao_basis_use_cosgtos(has)
|
||
|
|
if (has) then
|
||
|
|
! write(6,'(A)') '.. >>>>> [ IO READ: use_cosgtos ] <<<<< ..'
|
||
|
|
call ezfio_get_ao_basis_use_cosgtos(use_cosgtos)
|
||
|
|
else
|
||
|
|
use_cosgtos = .False.
|
||
|
|
endif
|
||
|
|
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( use_cosgtos, 1, MPI_LOGICAL, 0, MPI_COMM_WORLD, ierr)
|
||
|
|
if (ierr /= MPI_SUCCESS) then
|
||
|
|
stop 'Unable to read use_cosgtos with MPI'
|
||
|
|
endif
|
||
|
|
IRP_ENDIF
|
||
|
|
|
||
|
|
! call write_time(6)
|
||
|
|
|
||
|
|
END_PROVIDER
|