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Trying to fix travis

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This commit is contained in:
Anthony Scemama 2017-06-06 00:51:40 +02:00
parent b2e978c170
commit c49720fdae
1 changed files with 9 additions and 5 deletions
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14
plugins/Hartree_Fock/diagonalize_fock.irp.f
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@ -66,7 +66,7 @@
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//' DSYEVD failed : ', info
stop 1 stop 1
endif endif
lwork = int(work(1)) lwork = int(work(1))
@ -83,15 +83,19 @@
if (info /= 0) then if (info /= 0) then
call dsyev( 'V', 'U', mo_tot_num, F, & info = 0
do j=1,mo_tot_num
do i=1,mo_tot_num
F(i,j) = Fock_matrix_mo(i,j)
enddo
enddo
call dsyev( 'V', 'L', mo_tot_num, F, &
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