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Write good format for the ezfio mo_classif

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Thomas APPLENCOURT 2014-10-22 09:59:50 +02:00
parent 410f564a04
commit ed977defac
1 changed files with 1 additions and 1 deletions
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src/Dets/save_for_qmcchem.irp.f
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@ -35,7 +35,7 @@ subroutine save_dets_qmcchem
call write_int(output_dets,N_det,'Determinants saved for QMC')
deallocate(occ)
open(unit=31,file=trim(ezfio_filename)//'/mo_basis/mo_classif')
write(31,*) 1
write(31,'(I1)') 1
write(31,*) mo_tot_num
do i=1,mo_tot_num
write(31,'(A)') 'a'