Merge branch 'master' of http://github.com/SimTk/openmm

openmmapi/include/openmm/MonteCarloAnisotropicBarostat.h

@@ -106,7 +106,7 @@ public:
      *
      * @param pressure   the default pressure acting on the system, measured in bar.
      */
-    void setDefaultPressure(Vec3 pressure) {
+    void setDefaultPressure(const Vec3& pressure) {
         defaultPressure = pressure;
     }
     /**

platforms/cpu/tests/TestCpuGBSAOBCForce.cpp

@@ -223,6 +223,10 @@ void testForce(int numParticles, NonbondedForce::NonbondedMethod method, GBSAOBC
 
 int main() {
     try {
+        if (!CpuPlatform::isProcessorSupported()) {
+            cout << "CPU is not supported.  Exiting." << endl;
+            return 0;
+        }
         testSingleParticle();
         testCutoffAndPeriodic();
         for (int i = 5; i < 11; i++) {

platforms/cpu/tests/TestCpuLangevinIntegrator.cpp

@@ -264,6 +264,10 @@ void testRandomSeed() {
 
 int main() {
     try {
+        if (!CpuPlatform::isProcessorSupported()) {
+            cout << "CPU is not supported.  Exiting." << endl;
+            return 0;
+        }
         testSingleBond();
         testTemperature();
         testConstraints();

platforms/cpu/tests/TestCpuSettle.cpp

@@ -105,6 +105,10 @@ void testConstraints() {
 
 int main(int argc, char* argv[]) {
     try {
+        if (!CpuPlatform::isProcessorSupported()) {
+            cout << "CPU is not supported.  Exiting." << endl;
+            return 0;
+        }
         testConstraints();
     }
     catch(const exception& e) {

platforms/opencl/tests/TestOpenCLRandom.cpp

@@ -50,7 +50,7 @@ using namespace std;
 static OpenCLPlatform platform;
 
 void testGaussian() {
-    int numAtoms = 5000;
+    int numAtoms = 10000;
     System system;
     for (int i = 0; i < numAtoms; i++)
         system.addParticle(1.0);
@@ -82,10 +82,10 @@ void testGaussian() {
     double c2 = var-mean*mean;
     double c3 = skew-3*var*mean+2*mean*mean*mean;
     double c4 = kurtosis-4*skew*mean-3*var*var+12*var*mean*mean-6*mean*mean*mean*mean;
-    ASSERT_EQUAL_TOL(0.0, mean, 3.0/sqrt((double)numValues));
-    ASSERT_EQUAL_TOL(1.0, c2, 3.0/pow(numValues, 1.0/3.0));
-    ASSERT_EQUAL_TOL(0.0, c3, 3.0/pow(numValues, 1.0/4.0));
-    ASSERT_EQUAL_TOL(0.0, c4, 3.0/pow(numValues, 1.0/4.0));
+    ASSERT_EQUAL_TOL(0.0, mean, 4.0/sqrt((double)numValues));
+    ASSERT_EQUAL_TOL(1.0, c2, 4.0/pow(numValues, 1.0/3.0));
+    ASSERT_EQUAL_TOL(0.0, c3, 4.0/pow(numValues, 1.0/4.0));
+    ASSERT_EQUAL_TOL(0.0, c4, 4.0/pow(numValues, 1.0/4.0));
 }
 
 void testRandomVelocities() {

wrappers/python/CMakeLists.txt

-find_program(PYTHON_EXECUTABLE NAMES python)
-
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