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1. DynaPhoPy DynaPhoPy Public

   Phonon anharmonicity analysis from molecular dynamics

   Python 133 54

2. phonolammps phonolammps Public

   LAMMPS interface for phonon calculations using phonopy

   Python 88 27

3. PyQchem PyQchem Public

   Python interface for Q-Chem

   Python 23 9

4. posym posym Public

   Point symmetry analysis tool for theoretical chemistry objects

   Python 21 6

5. cuda_functions cuda_functions Public

   Python functions to calculate the FFT and autocorrelation function using GPU (Cuda)

   Cuda 10 2

6. VQEmulti VQEmulti Public

   Variation Quantum Eigensolver algorithms for quantum chemistry

   Python 3