Metadata-Version: 2.0
Name: skpar
Version: 0.2.4
Summary: Optimisation of Slater-Koster files (.skf) for density functional-based tight binding (DFTB)
Home-page: https://github.com/smarkov/skpar
Author: Stanislav Markov, The University of Hong Kong
Author-email: figaro@hku.hk
License: MIT
Download-URL: https://github.com/smarkov/skpar/archive/0.2.4.tar.gz
Keywords: dftb,slater-koster integrals,dftb+,lodestar,particle swarm optimisation,optimisation,pso,skpar
Platform: any
Requires-Dist: numpy
Requires-Dist: deap
Requires-Dist: pyyaml
Requires-Dist: matplotlib

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: http://skpar.readthedocs.io

SKPAR is under MIT licence.


