Improved fix recenter for rRespa integrator

Hello,
I finally find out how to update the fix recenter function to make it work with rRespa integrator.
Attached, the two updated files of fix_recenter.

Best,

Nicolas

fix_recenter.h (1.77 KB)

fix_recenter.cpp (6.4 KB)

Dear Steve,

Would it be possible to include this interesting improvement of fix
recenter into LAMMPS code?

Best wishes,
Laurent

2014-09-12 15:15 GMT+02:00 Nicolas Voeltzel <[email protected]>:

yes, we’ll add it soon. Thanks Nicolas.

Steve

FYI, this will be in a patch later today.

Steve