From 5869d03feeecf785fbacfacd669059f10ea0e5dc Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Thu, 27 Apr 2017 18:00:36 +0200
Subject: [PATCH] regtest

addresses #228
---
 regtest/basic/rt-fix-228/COLVAR.0.reference | 2 ++
 regtest/basic/rt-fix-228/COLVAR.1.reference | 2 ++
 regtest/basic/rt-fix-228/Makefile           | 1 +
 regtest/basic/rt-fix-228/config             | 4 ++++
 regtest/basic/rt-fix-228/plumed.0.dat       | 2 ++
 regtest/basic/rt-fix-228/plumed.1.dat       | 2 ++
 regtest/basic/rt-fix-228/traj.xyz           | 5 +++++
 7 files changed, 18 insertions(+)
 create mode 100644 regtest/basic/rt-fix-228/COLVAR.0.reference
 create mode 100644 regtest/basic/rt-fix-228/COLVAR.1.reference
 create mode 100644 regtest/basic/rt-fix-228/Makefile
 create mode 100644 regtest/basic/rt-fix-228/config
 create mode 100644 regtest/basic/rt-fix-228/plumed.0.dat
 create mode 100644 regtest/basic/rt-fix-228/plumed.1.dat
 create mode 100644 regtest/basic/rt-fix-228/traj.xyz

diff --git a/regtest/basic/rt-fix-228/COLVAR.0.reference b/regtest/basic/rt-fix-228/COLVAR.0.reference
new file mode 100644
index 000000000..02d36ac86
--- /dev/null
+++ b/regtest/basic/rt-fix-228/COLVAR.0.reference
@@ -0,0 +1,2 @@
+#! FIELDS time d
+ 0.000000 1.732051
diff --git a/regtest/basic/rt-fix-228/COLVAR.1.reference b/regtest/basic/rt-fix-228/COLVAR.1.reference
new file mode 100644
index 000000000..48952e849
--- /dev/null
+++ b/regtest/basic/rt-fix-228/COLVAR.1.reference
@@ -0,0 +1,2 @@
+#! FIELDS time d
+ 0.000000 6.928203
diff --git a/regtest/basic/rt-fix-228/Makefile b/regtest/basic/rt-fix-228/Makefile
new file mode 100644
index 000000000..3703b27ce
--- /dev/null
+++ b/regtest/basic/rt-fix-228/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt-fix-228/config b/regtest/basic/rt-fix-228/config
new file mode 100644
index 000000000..4ae6da5ca
--- /dev/null
+++ b/regtest/basic/rt-fix-228/config
@@ -0,0 +1,4 @@
+mpiprocs=2
+type=driver
+# this is to test a different name
+arg="--plumed plumed.dat --ixyz traj.xyz --multi 2"
diff --git a/regtest/basic/rt-fix-228/plumed.0.dat b/regtest/basic/rt-fix-228/plumed.0.dat
new file mode 100644
index 000000000..e74e38009
--- /dev/null
+++ b/regtest/basic/rt-fix-228/plumed.0.dat
@@ -0,0 +1,2 @@
+d: DISTANCE ATOMS=1,2
+PRINT ARG=d FILE=COLVAR
diff --git a/regtest/basic/rt-fix-228/plumed.1.dat b/regtest/basic/rt-fix-228/plumed.1.dat
new file mode 100644
index 000000000..b16f2d7a0
--- /dev/null
+++ b/regtest/basic/rt-fix-228/plumed.1.dat
@@ -0,0 +1,2 @@
+d: DISTANCE ATOMS=1,3
+PRINT ARG=d FILE=COLVAR
diff --git a/regtest/basic/rt-fix-228/traj.xyz b/regtest/basic/rt-fix-228/traj.xyz
new file mode 100644
index 000000000..6a43046ec
--- /dev/null
+++ b/regtest/basic/rt-fix-228/traj.xyz
@@ -0,0 +1,5 @@
+3
+0 0 0
+Ar 1 2 3
+Ar 2 3 4
+Ar 5 6 7
-- 
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