RustBCA icon indicating copy to clipboard operation
RustBCA copied to clipboard

[feature] implement locally spheroidal surface binding potential

Open drobnyjt opened this issue 4 years ago • 0 comments
trafficstars

Is your feature request related to a problem? Please describe. Locally planar and locally isotropic (equivalent to spherical) surface binding potentials are just two limiting cases of a generic spheroidal potential. This would take one extra parameter, k, but all it changes is the calculation of the normal vector. This would be a great feature to have when comparing to MD.

Proposed solution https://doi.org/10.1016/j.nimb.2012.11.022

drobnyjt avatar Mar 06 '21 21:03 drobnyjt