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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: http://skpar.readthedocs.io

SKPAR is under MIT licence.

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  • Python 99.9%
  • Shell 0.1%