mirror of
https://github.com/QuantumPackage/qp2.git
synced 2024-08-30 12:43:40 +02:00
fix bug save_wavefunction_general
This commit is contained in:
parent
5c26322e86
commit
29c0dc2e2f
@ -503,11 +503,12 @@ subroutine save_wavefunction_general(ndet,nstates,psidet,dim_psicoef,psicoef)
|
||||
integer :: i,j,k, ndet_qp_edit
|
||||
|
||||
if (mpi_master) then
|
||||
ndet_qp_edit = min(ndet,10000)
|
||||
|
||||
call ezfio_set_determinants_N_int(N_int)
|
||||
call ezfio_set_determinants_bit_kind(bit_kind)
|
||||
call ezfio_set_determinants_N_det(ndet)
|
||||
call ezfio_set_determinants_N_det_qp_edit(min(ndet,10000))
|
||||
call ezfio_set_determinants_N_det_qp_edit(ndet_qp_edit)
|
||||
call ezfio_set_determinants_n_states(nstates)
|
||||
call ezfio_set_determinants_mo_label(mo_label)
|
||||
|
||||
|
Loading…
Reference in New Issue
Block a user