From 8abd31703d435bd0e2f2428a752e04e0e5652fa3 Mon Sep 17 00:00:00 2001 From: edoapra Date: Mon, 11 Nov 2024 17:38:23 -0800 Subject: [PATCH] reverting f3a82e9dcb99b4c2586cc6e9675fa9a2386c1ed6 --- src/nwdft/lr_tddft_grad/tddft_gradient.F | 7 +++---- 1 file changed, 3 insertions(+), 4 deletions(-) diff --git a/src/nwdft/lr_tddft_grad/tddft_gradient.F b/src/nwdft/lr_tddft_grad/tddft_gradient.F index 130995e034..cece20d065 100644 --- a/src/nwdft/lr_tddft_grad/tddft_gradient.F +++ b/src/nwdft/lr_tddft_grad/tddft_gradient.F @@ -125,7 +125,6 @@ logical function tddft_gradient(rtdb) external tddft_energy logical oroot logical odebug - logical oprint c character*32 pname c @@ -369,12 +368,12 @@ logical function tddft_gradient(rtdb) c c We don't need to print out the excited-state gradients in the case of VEM c -cedo if (do_cosmo_vem.ne.0) goto 100 + if (do_cosmo_vem.ne.0) goto 100 c c <-- MN solvation models c c Print gradients of the excited states of interest - if (oroot.and.oprint) + if (oroot.and.odebug) & write(luout,*) "call tddft_grad_print_result" if (ipol.eq.2) then call tddft_grad_print_result(ntotroots,int_mb(iptr_roots), @@ -393,7 +392,7 @@ logical function tddft_gradient(rtdb) c c MN solvation models --> c -cedo 100 continue + 100 continue c c <-- MN solvation models c