Problems of fix GCMC in triclinic box

Dear Aidan (4.27 KB)

wateroffset.molecule (543 Bytes)

Yes, this is a known issue, cause is so far unknown. Sorry.

I just checked in a fix for this problem. See attached.

fix_gcmc.cpp (66.9 KB)

While this eliminates the lost atom error, it turns out there were a
lot more changes required to actual do the triclinic insertions
correctly. See next LAMMPS update for fully-functional code.