Hi, steve,
Can LAMMPS use Parrinello-Rahman fluctuation formula to calculate the stiffness matrix of amorphous polymers currently?
Regards,
Chen
Please post to the LAMMPS mail list, not to me personally.
If you mean off-diagonal terms, then no. But we are
about to release an upgraded fix npt that will do
full PR for triclinic boxes.
Steve
2010/1/21 Chen Yu <[email protected]...>: