lumol icon indicating copy to clipboard operation
lumol copied to clipboard

Published 20 hours ago • verified publisher icon lumol-org

Implement classical potentials

Open Luthaf opened this issue 9 years ago • 2 comments

More usefull potentials should be added. I know about theses:

  • [x] Morse potential
  • [x] Buckingham potential
  • [ ] Cosine series

Are there any others?

Luthaf avatar Feb 03 '16 21:02 Luthaf

This is as simple as defining a new struct and implementing the Potential trait on it. See src/core/src/energy/functions.rs for examples.

Luthaf avatar Mar 16 '16 09:03 Luthaf

  • [ ] Mie Potential
  • [ ] exp6 potential (modified Buckingham)

g-bauer avatar Jul 13 '16 18:07 g-bauer