From 25181963f86dcee0cd89f8b6bcf59bf400f53949 Mon Sep 17 00:00:00 2001 From: Kevin Gasperich Date: Thu, 12 Mar 2020 18:05:36 -0500 Subject: [PATCH] fixed range error --- src/mo_two_e_ints/map_integrals_cplx.irp.f | 12 ++++++++---- 1 file changed, 8 insertions(+), 4 deletions(-) diff --git a/src/mo_two_e_ints/map_integrals_cplx.irp.f b/src/mo_two_e_ints/map_integrals_cplx.irp.f index 2156e103..1356f128 100644 --- a/src/mo_two_e_ints/map_integrals_cplx.irp.f +++ b/src/mo_two_e_ints/map_integrals_cplx.irp.f @@ -437,8 +437,10 @@ subroutine get_mo_two_e_integrals_exch_ii_complex(k,l,sze,out_val,map,map2) call map_get_many(map2, hash_im(1:klmin-1), out_im(1:klmin-1), klmin-1) call map_get_many(map, hash_re(klmin:klmax), out_re(klmin:klmax), klmax-klmin+1) call map_get_many(map, hash_im(klmin:klmax), out_im(klmin:klmax), klmax-klmin+1) - call map_get_many(map2, hash_re(klmax+1:sze), out_re(klmax+1:sze), sze-klmax) - call map_get_many(map2, hash_im(klmax+1:sze), out_im(klmax+1:sze), sze-klmax) + if (klmax.lt.size) then + call map_get_many(map2, hash_re(klmax+1:sze), out_re(klmax+1:sze), sze-klmax) + call map_get_many(map2, hash_im(klmax+1:sze), out_im(klmax+1:sze), sze-klmax) + endif do i=1,sze out_val(i) = dcmplx(out_re(i),sign*sign2(i)*out_im(i)) enddo @@ -447,8 +449,10 @@ subroutine get_mo_two_e_integrals_exch_ii_complex(k,l,sze,out_val,map,map2) call map_get_many(map2, hash_im(1:klmin-1), tmp_im(1:klmin-1), klmin-1) call map_get_many(map, hash_re(klmin:klmax), tmp_re(klmin:klmax), klmax-klmin+1) call map_get_many(map, hash_im(klmin:klmax), tmp_im(klmin:klmax), klmax-klmin+1) - call map_get_many(map2, hash_re(klmax+1:sze), tmp_re(klmax+1:sze), sze-klmax) - call map_get_many(map2, hash_im(klmax+1:sze), tmp_im(klmax+1:sze), sze-klmax) + if (klmax.lt.size) then + call map_get_many(map2, hash_re(klmax+1:sze), tmp_re(klmax+1:sze), sze-klmax) + call map_get_many(map2, hash_im(klmax+1:sze), tmp_im(klmax+1:sze), sze-klmax) + endif ! Conversion to double complex do i=1,sze out_val(i) = dcmplx(tmp_re(i),sign*sign2(i)*tmp_im(i))