* \param[in] r2 Coordinates of the second point.
* \param[out] dr Resulting distance.
*/
-template <bool returnShift>
-static __forceinline__ __device__
-int pbcDxAiuc(const PbcAiuc &pbcAiuc,
- const float4 &r1,
- const float4 &r2,
- fvec dr)
+template<bool returnShift>
+static __forceinline__ __device__ int
+ pbcDxAiuc(const PbcAiuc& pbcAiuc, const float4& r1, const float4& r2, fvec dr)
{
dr[XX] = r1.x - r2.x;
dr[YY] = r1.y - r2.y;
dr[ZZ] = r1.z - r2.z;
- float shz = rintf(dr[ZZ]*pbcAiuc.invBoxDiagZ);
- dr[XX] -= shz*pbcAiuc.boxZX;
- dr[YY] -= shz*pbcAiuc.boxZY;
- dr[ZZ] -= shz*pbcAiuc.boxZZ;
+ float shz = rintf(dr[ZZ] * pbcAiuc.invBoxDiagZ);
+ dr[XX] -= shz * pbcAiuc.boxZX;
+ dr[YY] -= shz * pbcAiuc.boxZY;
+ dr[ZZ] -= shz * pbcAiuc.boxZZ;
- float shy = rintf(dr[YY]*pbcAiuc.invBoxDiagY);
- dr[XX] -= shy*pbcAiuc.boxYX;
- dr[YY] -= shy*pbcAiuc.boxYY;
+ float shy = rintf(dr[YY] * pbcAiuc.invBoxDiagY);
+ dr[XX] -= shy * pbcAiuc.boxYX;
+ dr[YY] -= shy * pbcAiuc.boxYY;
- float shx = rintf(dr[XX]*pbcAiuc.invBoxDiagX);
- dr[XX] -= shx*pbcAiuc.boxXX;
+ float shx = rintf(dr[XX] * pbcAiuc.invBoxDiagX);
+ dr[XX] -= shx * pbcAiuc.boxXX;
if (returnShift)
{
* \param[in] r2 Coordinates of the second point.
* \returns dr Resulting distance.
*/
-static __forceinline__ __host__ __device__
-float3 pbcDxAiuc(const PbcAiuc &pbcAiuc,
- const float3 &r1,
- const float3 &r2)
+static __forceinline__ __host__ __device__ float3 pbcDxAiuc(const PbcAiuc& pbcAiuc,
+ const float3& r1,
+ const float3& r2)
{
float3 dr = r1 - r2;
- float shz = rintf(dr.z*pbcAiuc.invBoxDiagZ);
- dr.x -= shz*pbcAiuc.boxZX;
- dr.y -= shz*pbcAiuc.boxZY;
- dr.z -= shz*pbcAiuc.boxZZ;
+ float shz = rintf(dr.z * pbcAiuc.invBoxDiagZ);
+ dr.x -= shz * pbcAiuc.boxZX;
+ dr.y -= shz * pbcAiuc.boxZY;
+ dr.z -= shz * pbcAiuc.boxZZ;
- float shy = rintf(dr.y*pbcAiuc.invBoxDiagY);
- dr.x -= shy*pbcAiuc.boxYX;
- dr.y -= shy*pbcAiuc.boxYY;
+ float shy = rintf(dr.y * pbcAiuc.invBoxDiagY);
+ dr.x -= shy * pbcAiuc.boxYX;
+ dr.y -= shy * pbcAiuc.boxYY;
- float shx = rintf(dr.x*pbcAiuc.invBoxDiagX);
- dr.x -= shx*pbcAiuc.boxXX;
+ float shx = rintf(dr.x * pbcAiuc.invBoxDiagX);
+ dr.x -= shx * pbcAiuc.boxXX;
return dr;
}
-#endif //GMX_PBCUTIL_PBC_AIUC_CUDA_CUH
+#endif // GMX_PBCUTIL_PBC_AIUC_CUDA_CUH