charmm force switching

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:

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 …


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,