* \param[out] pbcAiuc Pointer to PbcAiuc structure to be initialized.
*
*/
-static inline
-void setPbcAiuc(int numPbcDim,
- const matrix box,
- PbcAiuc *pbcAiuc)
+static inline void setPbcAiuc(int numPbcDim, const matrix box, PbcAiuc* pbcAiuc)
{
pbcAiuc->invBoxDiagZ = 0.0f;
if (numPbcDim > ZZ)
{
- pbcAiuc->invBoxDiagZ = 1.0f/box[ZZ][ZZ];
+ pbcAiuc->invBoxDiagZ = 1.0f / box[ZZ][ZZ];
pbcAiuc->boxZX = box[ZZ][XX];
pbcAiuc->boxZY = box[ZZ][YY];
pbcAiuc->boxZZ = box[ZZ][ZZ];
}
if (numPbcDim > YY)
{
- pbcAiuc->invBoxDiagY = 1.0f/box[YY][YY];
+ pbcAiuc->invBoxDiagY = 1.0f / box[YY][YY];
pbcAiuc->boxYX = box[YY][XX];
pbcAiuc->boxYY = box[YY][YY];
}
if (numPbcDim > XX)
{
- pbcAiuc->invBoxDiagX = 1.0f/box[XX][XX];
+ pbcAiuc->invBoxDiagX = 1.0f / box[XX][XX];
pbcAiuc->boxXX = box[XX][XX];
}
}
* \param[in] r2 Coordinates of the second point.
* \param[out] dr Resulting distance.
*/
-static inline
-void pbcDxAiuc(const PbcAiuc &pbcAiuc,
- const rvec &r1,
- const rvec &r2,
- rvec dr)
+static inline void pbcDxAiuc(const PbcAiuc& pbcAiuc, const rvec& r1, const rvec& r2, rvec dr)
{
dr[XX] = r1[XX] - r2[XX];
dr[YY] = r1[YY] - r2[YY];
dr[ZZ] = r1[ZZ] - r2[ZZ];
- 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;
}
-#endif //GMX_PBCUTIL_PBC_AIUC_H
+#endif // GMX_PBCUTIL_PBC_AIUC_H