[lammps-users] Using Parrinello-Rahman fluctuation to calculate stiffness matrix

Hi, steve,

Can LAMMPS use Parrinello-Rahman fluctuation formula to calculate the stiffness matrix of amorphous polymers currently?


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.


2010/1/21 Chen Yu <[email protected]>: