From 006a06ce99c01d282e63c0abc42c0db53b5960b6 Mon Sep 17 00:00:00 2001
From: Giovanni Bussi <giovanni.bussi@gmail.com>
Date: Wed, 27 Jan 2016 15:05:24 +0100
Subject: [PATCH] regtest
---
regtest/basic/rt-make-7/COLVAR.reference | 2 ++
regtest/basic/rt-make-7/Makefile | 1 +
regtest/basic/rt-make-7/config | 1 +
regtest/basic/rt-make-7/main.cpp | 37 ++++++++++++++++++++++++
4 files changed, 41 insertions(+)
create mode 100644 regtest/basic/rt-make-7/COLVAR.reference
create mode 100644 regtest/basic/rt-make-7/Makefile
create mode 100644 regtest/basic/rt-make-7/config
create mode 100644 regtest/basic/rt-make-7/main.cpp
diff --git a/regtest/basic/rt-make-7/COLVAR.reference b/regtest/basic/rt-make-7/COLVAR.reference
new file mode 100644
index 000000000..298bd6e7b
--- /dev/null
+++ b/regtest/basic/rt-make-7/COLVAR.reference
@@ -0,0 +1,2 @@
+#! FIELDS time d d1
+ 0.000000 5.196152 5.196152
diff --git a/regtest/basic/rt-make-7/Makefile b/regtest/basic/rt-make-7/Makefile
new file mode 100644
index 000000000..3703b27ce
--- /dev/null
+++ b/regtest/basic/rt-make-7/Makefile
@@ -0,0 +1 @@
+include ../../scripts/test.make
diff --git a/regtest/basic/rt-make-7/config b/regtest/basic/rt-make-7/config
new file mode 100644
index 000000000..df1f95bf3
--- /dev/null
+++ b/regtest/basic/rt-make-7/config
@@ -0,0 +1 @@
+type=make
diff --git a/regtest/basic/rt-make-7/main.cpp b/regtest/basic/rt-make-7/main.cpp
new file mode 100644
index 000000000..a2e926a2a
--- /dev/null
+++ b/regtest/basic/rt-make-7/main.cpp
@@ -0,0 +1,37 @@
+#include "plumed/wrapper/Plumed.h"
+#include <vector>
+
+using namespace PLMD;
+
+int main(){
+ Plumed* plumed=new Plumed;
+
+ int natoms=10;
+
+ std::vector<double> positions(3*natoms,0.0);
+ for(unsigned i=0;i<natoms;i++) positions[i]=i;
+ std::vector<double> masses(natoms,1.0);
+ std::vector<double> forces(3*natoms,0.0);
+ std::vector<double> box(9,0.0);
+ std::vector<double> virial(9,0.0);
+
+ plumed->cmd("setNatoms",&natoms);
+ plumed->cmd("setLogFile","test.log");
+ plumed->cmd("init");
+ plumed->cmd("readInputLine","d: DISTANCE ATOMS=1,2");
+ plumed->cmd("readInputLine","d1: DISTANCE ATOMS={1 2}"); // check if braces are parsed correctly
+ plumed->cmd("readInputLine","PRINT ARG=d,d1 FILE=COLVAR");
+
+
+ int step=1;
+ plumed->cmd("setStep",&step);
+ plumed->cmd("setPositions",&positions[0]);
+ plumed->cmd("setBox",&box[0]);
+ plumed->cmd("setForces",&forces[0]);
+ plumed->cmd("setVirial",&virial[0]);
+ plumed->cmd("setMasses",&masses[0]);
+ plumed->cmd("calc");
+
+ delete plumed;
+ return 0;
+}
--
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