Merge github.com:leeping/openmm

plugins/drude/platforms/opencl/CMakeLists.txt

@@ -14,7 +14,6 @@
 
 IF (APPLE)
     SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.6")
-    SET (CMAKE_OSX_SYSROOT "/Developer/SDKs/MacOSX10.6.sdk")
 ENDIF (APPLE)
 
 # The source is organized into subdirectories, but we handle them all from

plugins/drude/platforms/opencl/src/OpenCLDrudeKernels.cpp

@@ -36,7 +36,7 @@
 #include "OpenCLForceInfo.h"
 #include "OpenCLIntegrationUtilities.h"
 #include "OpenCLKernelSources.h"
-#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
+#include "SimTKOpenMMRealType.h"
 #include <set>
 
 using namespace OpenMM;

plugins/drude/platforms/opencl/tests/TestOpenCLDrudeForce.cpp

@@ -40,7 +40,7 @@
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
 #include "openmm/DrudeForce.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/drude/platforms/opencl/tests/TestOpenCLDrudeLangevinIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/VirtualSite.h"
 #include "openmm/DrudeForce.h"
 #include "openmm/DrudeLangevinIntegrator.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/drude/platforms/opencl/tests/TestOpenCLDrudeSCFIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/VirtualSite.h"
 #include "openmm/DrudeForce.h"
 #include "openmm/DrudeSCFIntegrator.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/drude/platforms/reference/src/ReferenceDrudeKernels.cpp

@@ -33,9 +33,9 @@
 #include "openmm/HarmonicAngleForce.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
-#include "SimTKReference/ReferenceCCMAAlgorithm.h"
-#include "SimTKReference/ReferenceVirtualSites.h"
+#include "SimTKOpenMMUtilities.h"
+#include "ReferenceCCMAAlgorithm.h"
+#include "ReferenceVirtualSites.h"
 #include <set>
 
 using namespace OpenMM;

plugins/drude/platforms/reference/src/ReferenceDrudeKernels.h

@@ -34,7 +34,7 @@
 
 #include "ReferencePlatform.h"
 #include "openmm/DrudeKernels.h"
-#include "SimTKUtilities/RealVec.h"
+#include "RealVec.h"
 #include "lbfgs.h"
 #include <utility>
 #include <vector>

plugins/drude/platforms/reference/tests/TestReferenceDrudeForce.cpp

@@ -40,7 +40,7 @@
 #include "openmm/System.h"
 #include "openmm/VerletIntegrator.h"
 #include "openmm/DrudeForce.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/drude/platforms/reference/tests/TestReferenceDrudeLangevinIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/VirtualSite.h"
 #include "openmm/DrudeForce.h"
 #include "openmm/DrudeLangevinIntegrator.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/drude/platforms/reference/tests/TestReferenceDrudeSCFIntegrator.cpp

@@ -41,7 +41,7 @@
 #include "openmm/VirtualSite.h"
 #include "openmm/DrudeForce.h"
 #include "openmm/DrudeSCFIntegrator.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include <iostream>
 #include <vector>
 

plugins/rpmd/platforms/cuda/CMakeLists.txt

@@ -14,7 +14,6 @@
 
 IF (APPLE)
     SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.6")
-    SET (CMAKE_OSX_SYSROOT "/Developer/SDKs/MacOSX10.6.sdk")
 ENDIF (APPLE)
 
 # The source is organized into subdirectories, but we handle them all from

plugins/rpmd/platforms/cuda/src/CudaRpmdKernels.cpp

@@ -36,7 +36,7 @@
 #include "CudaExpressionUtilities.h"
 #include "CudaKernelSources.h"
 #include "CudaNonbondedUtilities.h"
-#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
+#include "SimTKOpenMMRealType.h"
 
 using namespace OpenMM;
 using namespace std;

plugins/rpmd/platforms/cuda/tests/TestCudaRpmd.cpp

@@ -43,7 +43,7 @@
 #include "openmm/System.h"
 #include "openmm/RPMDIntegrator.h"
 #include "openmm/VirtualSite.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>

plugins/rpmd/platforms/opencl/CMakeLists.txt

@@ -14,7 +14,6 @@
 
 IF (APPLE)
     SET (CMAKE_OSX_DEPLOYMENT_TARGET "10.6")
-    SET (CMAKE_OSX_SYSROOT "/Developer/SDKs/MacOSX10.6.sdk")
 ENDIF (APPLE)
 
 # The source is organized into subdirectories, but we handle them all from

plugins/rpmd/platforms/opencl/src/OpenCLRpmdKernels.cpp

@@ -36,7 +36,7 @@
 #include "OpenCLExpressionUtilities.h"
 #include "OpenCLFFT3D.h"
 #include "OpenCLNonbondedUtilities.h"
-#include "../src/SimTKUtilities/SimTKOpenMMRealType.h"
+#include "SimTKOpenMMRealType.h"
 
 using namespace OpenMM;
 using namespace std;

plugins/rpmd/platforms/opencl/tests/TestOpenCLRpmd.cpp

@@ -43,7 +43,7 @@
 #include "openmm/System.h"
 #include "openmm/RPMDIntegrator.h"
 #include "openmm/VirtualSite.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>

plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.cpp

@@ -32,7 +32,7 @@
 #include "ReferenceRpmdKernels.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/internal/ContextImpl.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 
 using namespace OpenMM;
 using namespace std;

plugins/rpmd/platforms/reference/src/ReferenceRpmdKernels.h

@@ -34,8 +34,8 @@
 
 #include "ReferencePlatform.h"
 #include "openmm/RpmdKernels.h"
-#include "SimTKUtilities/RealVec.h"
-#include "SimTKReference/fftpack.h"
+#include "RealVec.h"
+#include "fftpack.h"
 
 namespace OpenMM {
 

plugins/rpmd/platforms/reference/tests/TestReferenceRpmd.cpp

@@ -42,7 +42,7 @@
 #include "openmm/System.h"
 #include "openmm/RPMDIntegrator.h"
 #include "openmm/VirtualSite.h"
-#include "SimTKUtilities/SimTKOpenMMUtilities.h"
+#include "SimTKOpenMMUtilities.h"
 #include "sfmt/SFMT.h"
 #include <iostream>
 #include <vector>

tests/TestParser.cpp

@@ -175,6 +175,7 @@ int main() {
         verifyEvaluation("5*2", 10.0);
         verifyEvaluation("2*3+4*5", 26.0);
         verifyEvaluation("2^-3", 0.125);
+        verifyEvaluation("1e+2", 100.0);
         verifyEvaluation("-x", 2.0, 3.0, -2.0);
         verifyEvaluation("y^-x", 3.0, 2.0, 0.125);
         verifyEvaluation("1/-x", 3.0, 2.0, -1.0/3.0);