Added LabFramePermanentDipole function to the cuda kernels files, but it...

Added LabFramePermanentDipole function to the cuda kernels files, but it currently works as getSystemMultipoleMoments

plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.cpp

@@ -1944,6 +1944,17 @@ void CudaCalcAmoebaMultipoleForceKernel::computeSystemMultipoleMoments(ContextIm
     outputMultipoleMoments[12] = 100.0*zzqdp*debye;
 }
 
+
+void CudaCalcAmoebaMultipoleForceKernel::getLabFramePermanentDipoles(ContextImpl& context, vector<double>& outputMultipoleMoments) {
+    ensureMultipolesValid(context);
+    if (cu.getUseDoublePrecision())
+        computeSystemMultipoleMoments<double, double4, double4>(context, outputMultipoleMoments);
+    else if (cu.getUseMixedPrecision())
+        computeSystemMultipoleMoments<float, float4, double4>(context, outputMultipoleMoments);
+    else
+        computeSystemMultipoleMoments<float, float4, float4>(context, outputMultipoleMoments);
+}
+
 void CudaCalcAmoebaMultipoleForceKernel::getSystemMultipoleMoments(ContextImpl& context, vector<double>& outputMultipoleMoments) {
     ensureMultipolesValid(context);
     if (cu.getUseDoublePrecision())

plugins/amoeba/platforms/cuda/src/AmoebaCudaKernels.h

@@ -328,6 +328,13 @@ public:
      * @return the potential energy due to the force
      */
     double execute(ContextImpl& context, bool includeForces, bool includeEnergy);
+     /**
+     * Get the LabFrame dipole moments of all particles.
+     * 
+     * @param context    the Context for which to get the induced dipoles
+     * @param dipoles    the induced dipole moment of particle i is stored into the i'th element
+     */
+    void getLabFramePermanentDipoles(ContextImpl& context, std::vector<Vec3>& dipoles);
     /**
      * Get the induced dipole moments of all particles.
      *