From 2fd6158722a4c98acfe1009021277752809acfb3 Mon Sep 17 00:00:00 2001 From: Pierre-Francois Loos Date: Wed, 4 Sep 2024 16:17:44 +0200 Subject: [PATCH] small print again --- src/QuAcK/QuAcK.f90 | 4 ++-- src/QuAcK/RQuAcK.f90 | 4 ++-- 2 files changed, 4 insertions(+), 4 deletions(-) diff --git a/src/QuAcK/QuAcK.f90 b/src/QuAcK/QuAcK.f90 index f472d7a..b01002f 100644 --- a/src/QuAcK/QuAcK.f90 +++ b/src/QuAcK/QuAcK.f90 @@ -168,8 +168,8 @@ program QuAcK call wall_time(start_int) - call read_integrals(nBas, S(1,1), T(1,1), V(1,1), Hc(1,1), ERI_AO(1,1,1,1)) - call read_dipole_integrals(nBas, dipole_int_AO) + call read_integrals(nBas,S,T,V,Hc,ERI_AO) + call read_dipole_integrals(nBas,dipole_int_AO) call wall_time(end_int) diff --git a/src/QuAcK/RQuAcK.f90 b/src/QuAcK/RQuAcK.f90 index e28dc1a..2573137 100644 --- a/src/QuAcK/RQuAcK.f90 +++ b/src/QuAcK/RQuAcK.f90 @@ -161,8 +161,8 @@ subroutine RQuAcK(dotest,doRHF,doROHF,dostab,dosearch,doMP2,doMP3,doCCD,dopCCD,d ! Read and transform dipole-related integrals - do ixyz = 1, ncart - call AOtoMO(nBas, nOrb, cHF, dipole_int_AO(1,1,ixyz), dipole_int_MO(1,1,ixyz)) + do ixyz=1,ncart + call AOtoMO(nBas,nOrb,cHF,dipole_int_AO(1,1,ixyz),dipole_int_MO(1,1,ixyz)) end do ! 4-index transform