mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-29 04:12:00 +02:00
Fix ao_basis/use_cosgtos not found in EZFIO file
This commit is contained in:
parent
77186e0560
commit
d05e4ed0b3
@ -76,5 +76,6 @@ interface: ezfio, provider
|
||||
[use_cosgtos]
|
||||
type: logical
|
||||
doc: If true, use cosgtos for AO integrals
|
||||
interface: ezfio,provider
|
||||
interface: ezfio
|
||||
default: False
|
||||
|
||||
|
33
src/ao_basis/cosgtos.irp.f
Normal file
33
src/ao_basis/cosgtos.irp.f
Normal file
@ -0,0 +1,33 @@
|
||||
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
|
Loading…
Reference in New Issue
Block a user