Dear all,
The simple input script below produces a segmentation fault when writing data.
Judging by the output, the bug is in accessing velocity of the last atom (see below).
Dear all,
The simple input script below produces a segmentation fault when writing data.
Judging by the output, the bug is in accessing velocity of the last atom (see below).
Simple bug fix - will be in next patch.
Replace these lines in write_data.cpp
if (nbonds) bonds();
if (nangles) angles();
with these
if (atom->nbonds && nbonds) bonds();
if (atom->nangles && nangles) angles();
thanks,
Steve