Bug #210
when g_order is used for tetrahedrality order, but all outputing results is zero.
Description
when g_order is used for tetrahedrality order, but all outputing results is zero.
1. checking the src file: src/tools/gmx_order.c
2. the problem is
The key code lines have been annotated:
The 170-171 lines of the src file look like:
/* sgmol[i] += 3*cost2/32;
sgmol[i] += cost2; /
3. the possible modification
/ sgmol[i] += 3*cost2/32; */
sgmol[i] += cost2;
This is a trivial bug.
Yusong Tu.
History
#1 Updated by Erik Lindahl about 12 years ago
Sorry for not seeing this; apparently my search filter doesn't show "unconfirmed" bugs by default...
I'm not 100% what this fix actually does, but it makes sense that something should go in sgmol[i], so I've committed it.