fprintf(fplog,"\nStep %s:\n",gmx_step_str(step,buf));
if (bHaveLimitdAndCMOld)
{
- fprintf(fplog,"The charge group starting at atom %d moved than the distance allowed by the domain decomposition (%f) in direction %c\n",
+ fprintf(fplog,"The charge group starting at atom %d moved more than the distance allowed by the domain decomposition (%f) in direction %c\n",
ddglatnr(dd,dd->cgindex[cg]),limitd,dim2char(dim));
}
else
if (dim >= npbcdim && dd->nc[dim] > 2)
{
/* No pbc in this dim and more than one domain boundary.
- * We to a separate check if a charge did not move too far.
+ * We do a separate check if a charge group didn't move too far.
*/
if (((flag & DD_FLAG_FW(d)) &&
- comm->vbuf.v[buf_pos][d] > cell_x1[dim]) ||
+ comm->vbuf.v[buf_pos][dim] > cell_x1[dim]) ||
((flag & DD_FLAG_BW(d)) &&
- comm->vbuf.v[buf_pos][d] < cell_x0[dim]))
+ comm->vbuf.v[buf_pos][dim] < cell_x0[dim]))
{
- cg_move_error(fplog,dd,step,cg,d,
+ cg_move_error(fplog,dd,step,cg,dim,
(flag & DD_FLAG_FW(d)) ? 1 : 0,
FALSE,0,
comm->vbuf.v[buf_pos],
comm->vbuf.v[buf_pos],
- comm->vbuf.v[buf_pos][d]);
+ comm->vbuf.v[buf_pos][dim]);
}
}