Merge branch 'master' of github.com:pandegroup/openmm into sphinx

platforms/reference/src/ReferencePlatform.cpp

@@ -58,7 +58,6 @@ ReferencePlatform::ReferencePlatform() {
     registerKernelFactory(CalcNonbondedForceKernel::Name(), factory);
     registerKernelFactory(CalcCustomNonbondedForceKernel::Name(), factory);
     registerKernelFactory(CalcGBSAOBCForceKernel::Name(), factory);
-    registerKernelFactory(CalcGBVIForceKernel::Name(), factory);
     registerKernelFactory(CalcCustomGBForceKernel::Name(), factory);
     registerKernelFactory(CalcCustomExternalForceKernel::Name(), factory);
     registerKernelFactory(CalcCustomHbondForceKernel::Name(), factory);

plugins/rpmd/openmmapi/src/RPMDIntegrator.cpp

@@ -129,9 +129,9 @@ State RPMDIntegrator::getState(int copy, int types, bool enforcePeriodicBox, int
 
             // Find the displacement to move it into the first periodic box.
             Vec3 diff;
-            diff -= periodicBoxSize[0]*static_cast<int>(center[0]/periodicBoxSize[0][0]);
-            diff -= periodicBoxSize[1]*static_cast<int>(center[1]/periodicBoxSize[1][1]);
-            diff -= periodicBoxSize[2]*static_cast<int>(center[2]/periodicBoxSize[2][2]);
+            diff += periodicBoxSize[2]*floor(center[2]/periodicBoxSize[2][2]);
+            diff += periodicBoxSize[1]*floor((center[1]-diff[1])/periodicBoxSize[1][1]);
+            diff += periodicBoxSize[0]*floor((center[0]-diff[0])/periodicBoxSize[0][0]);
 
             // Translate all the particles in the molecule.
             for (int j = 0; j < (int) molecules[i].size(); j++) {