Dear All,
The per-atom tabulation for this would have to be added to fix orient/fcc.
Similar to the way fix shake tabulates a per-atom virial contribution (see
the tally routines in fix.cpp.
Steve
Dear All,
The per-atom tabulation for this would have to be added to fix orient/fcc.
Similar to the way fix shake tabulates a per-atom virial contribution (see
the tally routines in fix.cpp.
Steve