GitHub - pecchia/skpar

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Name		Name	Last commit message	Last commit date
Latest commit History 306 Commits
bin		bin
docs		docs
examples		examples
skpar		skpar
test		test
.gitignore		.gitignore
INSTALL.txt		INSTALL.txt
LICENSE.txt		LICENSE.txt
MANIFEST.in		MANIFEST.in
README.txt		README.txt
aradi.notes.txt		aradi.notes.txt
contributors.txt		contributors.txt
setup.cfg		setup.cfg
setup.py		setup.py

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SKPAR is a software tool intended to automate the optimisation of 
parameters for the Density Functional Tight Binding (DFTB) theory
as implemented in dftb+ (BCCMS Bremen), lodestar (The University 
of Hong Kong) and other computer codes. SKPAR was formerly SKOPT.

Documentation: https://skpar.readthedocs.io

SKPAR is under MIT licence.