From 7872de697b4fe1e216736c9e7d65486069293f89 Mon Sep 17 00:00:00 2001 From: Axel Kohlmeyer Date: Fri, 12 Jul 2013 17:31:10 +0200 Subject: [PATCH] added nylon and crambin examples with support for regtester --- tools/msi2lmp/test/{crambin.car => crambin-class1.car} | 0 tools/msi2lmp/test/{crambin.mdf => crambin-class1.mdf} | 0 tools/msi2lmp/test/{nylon.car => nylon-class1.car} | 0 tools/msi2lmp/test/{nylon.mdf => nylon-class1.mdf} | 0 tools/msi2lmp/test/runtests.sh | 2 +- 5 files changed, 1 insertion(+), 1 deletion(-) rename tools/msi2lmp/test/{crambin.car => crambin-class1.car} (100%) rename tools/msi2lmp/test/{crambin.mdf => crambin-class1.mdf} (100%) rename tools/msi2lmp/test/{nylon.car => nylon-class1.car} (100%) rename tools/msi2lmp/test/{nylon.mdf => nylon-class1.mdf} (100%) diff --git a/tools/msi2lmp/test/crambin.car b/tools/msi2lmp/test/crambin-class1.car similarity index 100% rename from tools/msi2lmp/test/crambin.car rename to tools/msi2lmp/test/crambin-class1.car diff --git a/tools/msi2lmp/test/crambin.mdf b/tools/msi2lmp/test/crambin-class1.mdf similarity index 100% rename from tools/msi2lmp/test/crambin.mdf rename to tools/msi2lmp/test/crambin-class1.mdf diff --git a/tools/msi2lmp/test/nylon.car b/tools/msi2lmp/test/nylon-class1.car similarity index 100% rename from tools/msi2lmp/test/nylon.car rename to tools/msi2lmp/test/nylon-class1.car diff --git a/tools/msi2lmp/test/nylon.mdf b/tools/msi2lmp/test/nylon-class1.mdf similarity index 100% rename from tools/msi2lmp/test/nylon.mdf rename to tools/msi2lmp/test/nylon-class1.mdf diff --git a/tools/msi2lmp/test/runtests.sh b/tools/msi2lmp/test/runtests.sh index 5f17bce9fc..8eedd5cb22 100755 --- a/tools/msi2lmp/test/runtests.sh +++ b/tools/msi2lmp/test/runtests.sh @@ -10,7 +10,7 @@ counter=0 errors=0 # Class1 tests -for m in hydrogen water h2-h2o ethane benzene naphthalene +for m in hydrogen water h2-h2o ethane benzene naphthalene crambin nylon do \ before=$errors ${MSI2LMP} ${m}-class1 -c 1 -p ${verbose} \