seams Namespace Reference

Namespaces
namespace	cfg
namespace	sphericart_ylm
namespace	steinhardt

Functions
void	BatchPeriodicDistSq (const double *dx, const double *dy, const double *dz, double bx, double by, double bz, double *out, size_t n)

Function Documentation

BatchPeriodicDistSq()

void seams::BatchPeriodicDistSq ( const double * dx, const double * dy, const double * dz, double bx, double by, double bz, double * out, size_t n )

inline

Definition at line 101 of file simd_distance.hpp.

                                                                  {
#ifdef SEAMS_HAS_MINIMAGE
  mi_dist2_ortho_diffs(dx, dy, dz, bx, by, bz, out, n);
  return;
#endif
  // Matches the vectorised path: one reciprocal per axis for the whole batch
  const double rbx = 1.0 / bx;
  const double rby = 1.0 / by;
  const double rbz = 1.0 / bz;
  for (size_t i = 0; i < n; i++) {
    double ddx = std::fabs(dx[i]);
    double ddy = std::fabs(dy[i]);
    double ddz = std::fabs(dz[i]);
    ddx -= bx * std::round(ddx * rbx);
    ddy -= by * std::round(ddy * rby);
    ddz -= bz * std::round(ddz * rbz);
    out[i] = ddx * ddx + ddy * ddy + ddz * ddz;
  }
}