From 250eac93dccb4057e2abec357496624e1c3fbbee Mon Sep 17 00:00:00 2001 From: Xin Wu Date: Sat, 3 Jun 2023 07:34:39 +0200 Subject: [PATCH] fix bug in the reaxff HNS benchmark --- examples/reaxff/HNS/in.reaxc.hns | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/examples/reaxff/HNS/in.reaxc.hns b/examples/reaxff/HNS/in.reaxc.hns index 775a389eca..5b83698917 100644 --- a/examples/reaxff/HNS/in.reaxc.hns +++ b/examples/reaxff/HNS/in.reaxc.hns @@ -37,4 +37,4 @@ velocity all create 300.0 41279 loop geom fix 1 all nve fix 2 all qeq/reax 1 0.0 10.0 1e-6 reax/c -run 100 +run $t