Pinned Repositories
ase-d3
Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)
gpaw-qmtest
Generation of python scripts for basis set and h spacing convergence when using GPAW in LCAO mode in ase
Spoon-Knife
This repo is for demonstration purposes only.
glevi's Repositories
glevi/ase-d3
Python-native(ish) implementation of Grimme's DFT-D3(BJ) correction for use in Atomic Simulation Environment (ASE)
glevi/gpaw-qmtest
Generation of python scripts for basis set and h spacing convergence when using GPAW in LCAO mode in ase
glevi/Spoon-Knife
This repo is for demonstration purposes only.