Fixed bugs with special bonds for ellipsoid gpu pair styles (1295a9ef) · Commits · 郑智淋 / lammps

lib/gpu/lal_ellipsoid_nbor.cu

+6 −6

Original line number	Diff line number	Diff line
		@@ -53,8 +53,8 @@ __kernel void kernel_nbor(const __global numtyp4 *restrict x_,
		int itype=fast_mul(iw,ntypes);
		int newj=0;
		for ( ; nbor<nbor_end; nbor+=nbor_pitch) {
		int j=dev_ij[nbor];
		j &= NEIGHMASK;
		int sj=dev_ij[nbor];
		int j = sj & NEIGHMASK;
		numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
		int jtype=jx.w;
		int mtype=itype+jtype;
		@@ -69,7 +69,7 @@ __kernel void kernel_nbor(const __global numtyp4 *restrict x_,
		rsq+=t*t;

		if (rsq<cf.x) {
		dev_nbor[packed]=j;
		dev_nbor[packed]=sj;
		packed+=nbor_pitch;
		newj++;
		}
		@@ -117,8 +117,8 @@ __kernel void kernel_nbor_fast(const __global numtyp4 *restrict x_,

		int newj=0;
		for ( ; nbor<nbor_end; nbor+=nbor_pitch) {
		int j=dev_ij[nbor];
		j &= NEIGHMASK;
		int sj=dev_ij[nbor];
		int j = sj & NEIGHMASK;
		numtyp4 jx; fetch4(jx,j,pos_tex); //x_[j];
		int jtype=jx.w;
		int mtype=itype+jtype;
		@@ -133,7 +133,7 @@ __kernel void kernel_nbor_fast(const __global numtyp4 *restrict x_,
		rsq+=t*t;

		if (rsq<cutsq[mtype]) {
		dev_nbor[packed]=j;
		dev_nbor[packed]=sj;
		packed+=nbor_pitch;
		newj++;
		}