Add periodic methods to MRCHEM

MRChemSoft / mrchem

MultiResolution Chemistry

GNU Lesser General Public License v3.0

27 stars 21 forks source link

Closed bjorgve closed 7 months ago

bjorgve commented 2 years ago

Periodic MRCHEM capabilities. For this to work we need to wait for https://github.com/MRChemSoft/mrcpp/pull/197

We follow Pask et. al. 2018 for the implementation.

@Andersmb can you look over my changes in python/mrchem

ilfreddy commented 7 months ago

Work on PBC is suspended for now