From 2e7e5e0257aedcf3e876f2d9aae213c4e9dffb0c Mon Sep 17 00:00:00 2001 From: Gareth Tribello <gareth.tribello@gmail.com> Date: Fri, 2 May 2014 20:11:42 +0100 Subject: [PATCH] Change in input to make this regtest run faster Problem due to very large values for cell vectors with nopbc --- regtest/analysis/rt-mds/input.xyz | 2 +- 1 file changed, 1 insertion(+), 1 deletion(-) diff --git a/regtest/analysis/rt-mds/input.xyz b/regtest/analysis/rt-mds/input.xyz index 0b70568f9..9e1e59174 100644 --- a/regtest/analysis/rt-mds/input.xyz +++ b/regtest/analysis/rt-mds/input.xyz @@ -1,5 +1,5 @@ 7 -100000. 100000. 100000. +100. 100. 100. Ar 7.3933470660 -2.6986483924 0.0000000000 Ar 7.8226765198 -0.7390907295 0.0000000000 Ar 7.1014969839 -1.6164766614 0.0000000000 -- GitLab