From df6c95650b2418501ee788050b969846e0ee7100 Mon Sep 17 00:00:00 2001 From: edoapra Date: Thu, 14 Dec 2017 13:30:31 -0800 Subject: [PATCH] disable restart with set directive to keep same old output --- QA/tests/hess_ch4/hess_ch4.nw | 1 + 1 file changed, 1 insertion(+) diff --git a/QA/tests/hess_ch4/hess_ch4.nw b/QA/tests/hess_ch4/hess_ch4.nw index 216575a50c..00c62ad44b 100644 --- a/QA/tests/hess_ch4/hess_ch4.nw +++ b/QA/tests/hess_ch4/hess_ch4.nw @@ -24,5 +24,6 @@ xc becke88 lyp end task dft optimize +set hess:restart f task dft freq