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Trying to fox travis

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This commit is contained in:
Anthony Scemama 2017-06-06 00:39:35 +02:00
parent d54d64ded8
commit b2e978c170
1 changed files with 21 additions and 19 deletions
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40
plugins/Hartree_Fock/diagonalize_fock.irp.f
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@ -55,24 +55,24 @@
lwork = 1+6*n + 2*n*n lwork = 1+6*n + 2*n*n
liwork = 3 + 5*n liwork = 3 + 5*n
! allocate(work(lwork)) allocate(work(lwork))
! allocate(iwork(liwork) ) allocate(iwork(liwork) )
!
! lwork = -1 lwork = -1
! liwork = -1 liwork = -1
!
! call dsyevd( 'V', 'U', mo_tot_num, F, & call dsyevd( 'V', 'U', mo_tot_num, F, &
! size(F,1), diagonal_Fock_matrix_mo, & size(F,1), diagonal_Fock_matrix_mo, &
! work, lwork, iwork, liwork, info) work, lwork, iwork, liwork, info)
!
! if (info /= 0) then if (info /= 0) then
! print *, irp_here//' failed : ', info print *, irp_here//' failed : ', info
! stop 1 stop 1
! endif endif
! lwork = int(work(1)) lwork = int(work(1))
! liwork = iwork(1) liwork = iwork(1)
! deallocate(iwork) deallocate(iwork)
! deallocate(work) deallocate(work)
allocate(work(lwork)) allocate(work(lwork))
allocate(iwork(liwork) ) allocate(iwork(liwork) )
@ -87,9 +87,11 @@
size(F,1), diagonal_Fock_matrix_mo, & size(F,1), diagonal_Fock_matrix_mo, &
work, lwork, info) work, lwork, info)
if (info /= 0) then if (info < 0) then
print *, irp_here//' DSYEV failed : ', info print *, irp_here//' DSYEV failed : ', info
stop 1 stop 1
else if (info > 0) then
print *, 'Warning: '//irp_here//' DSYEV info : ', info
endif endif
endif endif