Pinned

1. DynaPhoPy Public

   Phonon anharmonicity analysis from molecular dynamics

   Python 71 34

2. aiida-phonopy/aiida-phonopy Public

   Phonon for AiiDA

   Python 8 14

3. phonolammps Public

   LAMMPS interface for phonon calculations using phonopy

   Python 38 15

4. PyQchem Public

   Python interface for Q-Chem

   Python 12 4

5. cuda_functions Public

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

   Cuda 7 1

6. gromorg Public

   A python GROMACS interface for MD simulations of organic molecular crystals

   Python