From 3ff16eec9aa68fc59ad3792887b65a50be7acfde Mon Sep 17 00:00:00 2001 From: Olivier Coulaud <Olivier.Coulaud@inria.fr> Date: Mon, 3 Sep 2012 17:22:33 +0200 Subject: [PATCH] add files for tests --- Data/CONFIG-NONPER | 1682 ++++++++++++++++++++++++++++++++++++++++++ Data/PosForcePer.txt | 427 +++++++++++ 2 files changed, 2109 insertions(+) create mode 100644 Data/CONFIG-NONPER create mode 100644 Data/PosForcePer.txt diff --git a/Data/CONFIG-NONPER b/Data/CONFIG-NONPER new file mode 100644 index 000000000..043e0a58c --- /dev/null +++ b/Data/CONFIG-NONPER @@ -0,0 +1,1682 @@ +Box SPC water from DLPOLY TEST17 + 2 0 420 17.20 +OW 1 16.000000 -0.820000 + 5.4440E+00 -4.1178E-01 -3.8440E+00 + 3.7858E+00 1.6608E+00 4.3765E+00 + -4.7690E+03 8.5022E+03 1.0970E+04 +HW 2 1.000800 0.410000 + 6.2899E+00 -9.4430E-01 -3.8712E+00 + -3.9868E+00 -1.1269E+01 1.5786E+01 + 6.0646E+03 -6.0802E+03 -2.2558E+03 +HW 3 1.000800 0.410000 + 5.0626E+00 -3.4376E-01 -4.7659E+00 + 1.3527E+01 1.5036E+00 3.3541E-01 + 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