lcpp-org / RustBCA

A free, open-source Binary Collision Approximation (BCA) code for ion-material interactions including sputtering, implantation, and reflection
https://github.com/lcpp-org/RustBCA/wiki
GNU General Public License v3.0
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[feature] implement locally spheroidal surface binding potential #108

Open drobnyjt opened 3 years ago

drobnyjt commented 3 years ago

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