constraints.cc

KERNEL void applyPositionDeltas(int numAtoms, GLOBAL real4* RESTRICT posq, GLOBAL mixed4* RESTRICT posDelta
#ifdef USE_MIXED_PRECISION
        , GLOBAL real4* RESTRICT posqCorrection
#endif
        ) {
    for (unsigned int index = GLOBAL_ID; index < numAtoms; index += GLOBAL_SIZE) {
#ifdef USE_MIXED_PRECISION
        real4 pos1 = posq[index];
        real4 pos2 = posqCorrection[index];
        mixed4 pos = make_mixed4(pos1.x+(mixed)pos2.x, pos1.y+(mixed)pos2.y, pos1.z+(mixed)pos2.z, pos1.w);
#else
        mixed4 pos = posq[index];
#endif
        pos.x += posDelta[index].x;
        pos.y += posDelta[index].y;
        pos.z += posDelta[index].z;
#ifdef USE_MIXED_PRECISION
        posq[index] = make_real4((real) pos.x, (real) pos.y, (real) pos.z, (real) pos.w);
        posqCorrection[index] = make_real4(pos.x-(real) pos.x, pos.y-(real) pos.y, pos.z-(real) pos.z, 0);
#else
        posq[index] = pos;
#endif
    }
}