I have been using a custom pair style modified from lj/charmm/coul/long to implement force switching (as opposed to energy switching) in the VDW terms.
Back in 2011, another user submitted a similar modification to the LAMMPS developers:
http://lammps.sandia.gov/threads/msg21963.html
Have I overlooked this feature, or is there a reason it has not yet been included in the lj/charmm pair styles?
I don’t recall any of this (from 2011). If you have
a new (or augmented) pair style that does this,
we can release it now …
Steve
Hi Steve,
Here is my attempt at implementing force switching by using pair_lj_charmm_coul_long as a template.
I am not too familiar with the respa portions of the code, so that has not been tested extensively.
The following link is publicly accessible. Hopefully it will be of some use,
http://pastebin.com/6sst9r7d