Theochem

Popular repositories

1. horton Public

   HORTON: Helpful Open-source Research TOol for N-fermion systems

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2. iodata Public

   Python library for reading, writing, and converting computational chemistry file formats and generating input files.

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3. tinydft Public

   A minimalistic atomic Density Functional Theory (DFT) code

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4. procrustes Public

   Python library for finding the optimal transformation(s) that makes two matrices as close as possible to each other.

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5. chemtools Public

   A collection of interpretive chemical tools for analyzing outputs of the quantum chemistry calculations.

   Python 16 17

6. gbasis Public

   Python library for analytical evaluation and integration of Gaussian-type basis functions and related quantities.

   Python 15 13