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1. pwtools pwtools Public

   pwtools is a Python package for pre- and postprocessing of atomistic calculations, mostly targeted to Quantum Espresso, CPMD, CP2K and LAMMPS. It is almost, but not quite, entirely unlike ASE, with…

   Python 64 12

2. psweep psweep Public

   Loop like a pro, make parameter studies fun.

   Python 16 2

3. hzdr/autodiff101 hzdr/autodiff101 Public

   An introduction to Automatic Differentiation with theory and code examples.

   TeX 5 1

4. gp_playground gp_playground Public

   Explore selected topics related to Gaussian processes

   Python 1

5. nmbx nmbx Public

   A box of tools that deal with numbers.

   Python

6. docwatch docwatch Public

   Convert, preview, watch and rebuild a source document with pandoc.

   Python 2