Name		Name	Last commit message	Last commit date
Latest commit History 3 Commits
.idea		.idea
DATA		DATA
jupyter_notebook		jupyter_notebook
.dftpy.xsf		.dftpy.xsf
.gitattributes		.gitattributes
DFTpy.py		DFTpy.py
EMT.py		EMT.py
README.md		README.md
h2.traj		h2.traj
main.py		main.py
md.traj		md.traj
myatoms.traj		myatoms.traj
nwchem.nwi		nwchem.nwi
nwchem.nwo		nwchem.nwo
opt.log		opt.log
opt.traj		opt.traj
rho.cube		rho.cube
rho.xsf		rho.xsf