lamalab-org / MatText

Text-based modeling of materials.
https://lamalab-org.github.io/MatText/
MIT License
23 stars 2 forks source link

feat: implement mapping of xtal 2 potential #61

Closed kjappelbaum closed 4 months ago

kjappelbaum commented 4 months ago

So we need not look at 3-body potential at the moment ?

I do not know what you think - but we can perhaps sweep from global to more global interactions and later add Stillinger-Weber as three-body, etc.