Loading src/Util.cpp +29 −0 Original line number Diff line number Diff line Loading @@ -118,6 +118,35 @@ void FoldBox(real8 boundMin[3], real8 boundMax[3], real8 *x, real8 *y, real8 *z) return; } void ZImage(real8 boundMin[3], real8 boundMax[3], real8 *x, real8 *y, real8 *z) { real8 xc, yc, zc; real8 invLx, invLy, invLz, Lx, Ly, Lz; xc = (boundMin[0] + boundMax[0]) * 0.5; yc = (boundMin[1] + boundMax[1]) * 0.5; zc = (boundMin[2] + boundMax[2]) * 0.5; Lx = boundMax[0] - boundMin[0]; invLx = 1.0/Lx; Ly = boundMax[1] - boundMin[1]; invLy = 1.0/Ly; Lz = boundMax[2] - boundMin[2]; invLz = 1.0/Lz; /* * If periodic boundaries are not in use, the provided position * of (x,y,z) will not be adjusted since there are no other * images available. */ *x -= rint(*x * invLx) * Lx; *y -= rint(*y * invLy) * Ly; *z -= rint(*z * invLz) * Lz; return; } real8 LinearInterpolation(const Curve_t &curve, real8 x, real8 min, real8 max) { Loading Loading
src/Util.cpp +29 −0 Original line number Diff line number Diff line Loading @@ -118,6 +118,35 @@ void FoldBox(real8 boundMin[3], real8 boundMax[3], real8 *x, real8 *y, real8 *z) return; } void ZImage(real8 boundMin[3], real8 boundMax[3], real8 *x, real8 *y, real8 *z) { real8 xc, yc, zc; real8 invLx, invLy, invLz, Lx, Ly, Lz; xc = (boundMin[0] + boundMax[0]) * 0.5; yc = (boundMin[1] + boundMax[1]) * 0.5; zc = (boundMin[2] + boundMax[2]) * 0.5; Lx = boundMax[0] - boundMin[0]; invLx = 1.0/Lx; Ly = boundMax[1] - boundMin[1]; invLy = 1.0/Ly; Lz = boundMax[2] - boundMin[2]; invLz = 1.0/Lz; /* * If periodic boundaries are not in use, the provided position * of (x,y,z) will not be adjusted since there are no other * images available. */ *x -= rint(*x * invLx) * Lx; *y -= rint(*y * invLy) * Ly; *z -= rint(*z * invLz) * Lz; return; } real8 LinearInterpolation(const Curve_t &curve, real8 x, real8 min, real8 max) { Loading