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1. libecpint libecpint Public

   A C++ library for the efficient evaluation of integrals over effective core potentials.

   C++ 28 19

2. basisopt basisopt Public

   Basis set optimization library for quantum chemistry

   Python 36 5

3. geomConvert geomConvert Public

   A python utility to convert between XYZ and Z-matrix geometries.

   Python 43 21

4. pylibecpint pylibecpint Public

   Python bindings for libecpint, calculating molecular integrals over effective core potentials.

   Python