Add Atomic Partitionings - Githubissues

wavefunction91 / IntegratorXX

Reusable DFT Grids for the Masses

BSD 3-Clause "New" or "Revised" License

13 stars 9 forks source link

Add Atomic Partitionings #70

Open wavefunction91 opened 1 year ago

wavefunction91 commented 1 year ago

Closes #60 Closes #68

Adds:

[x] Becke algorithm
[x] SSF algorithm
[ ] LKO algorithm
[ ] Delley algorithm
[ ] FPV algorithm