Merge branch 'gayberne' of https://github.com/peastman/openmm into gayberne

platforms/cpu/include/CpuGayBerneForce.h

@@ -42,7 +42,7 @@
 
 namespace OpenMM {
 
-class OPENMM_EXPORT CpuGayBerneForce {
+class CpuGayBerneForce {
 public:
     struct Matrix;
     class ComputeTask;

platforms/cpu/src/CpuGayBerneForce.cpp

@@ -29,11 +29,16 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
+#ifdef _MSC_VER
+    // Prevent Windows from defining macros that interfere with other code.
+    #define NOMINMAX
+#endif
 #include "CpuGayBerneForce.h"
 #include "ReferenceForce.h"
 #include "openmm/OpenMMException.h"
 #include "openmm/GayBerneForce.h"
 #include "openmm/internal/gmx_atomic.h"
+#include <algorithm>
 #include <cmath>
 
 using namespace OpenMM;

platforms/cuda/src/kernels/gayBerne.cu

@@ -234,7 +234,7 @@ inline __device__ void matrixInverse(real (*result)[3], real (*m)[3]) {
     result[2][2] = invDet*(m[0][0]*m[1][1] - m[0][1]*m[1][0]);
 }
 
-__device__ void computeOneInteraction(AtomData* data1, AtomData* data2, real sigma, real epsilon, real3 dr, real r2, real3* force1, real3* force2, real3* torque1, real3* torque2, real *totalEnergy) {
+__device__ void computeOneInteraction(AtomData* data1, AtomData* data2, real sigma, real epsilon, real3 dr, real r2, real3* force1, real3* force2, real3* torque1, real3* torque2, mixed *totalEnergy) {
     real rInv = RSQRT(r2);
     real r = r2*rInv;
     real3 drUnit = dr*rInv;

platforms/opencl/src/kernels/gayBerne.cl

@@ -239,7 +239,7 @@ void matrixInverse(real (*result)[3], real (*m)[3]) {
     result[2][2] = invDet*(m[0][0]*m[1][1] - m[0][1]*m[1][0]);
 }
 
-void computeOneInteraction(AtomData* data1, AtomData* data2, real sigma, real epsilon, real3 dr, real r2, real3* force1, real3* force2, real3* torque1, real3* torque2, real *totalEnergy) {
+void computeOneInteraction(AtomData* data1, AtomData* data2, real sigma, real epsilon, real3 dr, real r2, real3* force1, real3* force2, real3* torque1, real3* torque2, mixed *totalEnergy) {
     real rInv = RSQRT(r2);
     real r = r2*rInv;
     real3 drUnit = dr*rInv;

platforms/reference/src/SimTKReference/ReferenceGayBerneForce.cpp

@@ -29,9 +29,14 @@
  * USE OR OTHER DEALINGS IN THE SOFTWARE.                                     *
  * -------------------------------------------------------------------------- */
 
+#ifdef _MSC_VER
+    // Prevent Windows from defining macros that interfere with other code.
+    #define NOMINMAX
+#endif
 #include "ReferenceGayBerneForce.h"
 #include "ReferenceForce.h"
 #include "openmm/OpenMMException.h"
+#include <algorithm>
 #include <cmath>
 
 using namespace OpenMM;