Pinned Loading

1. Lammps_tools Lammps_tools Public

   Some scripting tools used for lammps input or output

   Python 69 22

2. PPR-Phonon-Participation-Ratio PPR-Phonon-Participation-Ratio Public

   Calculation of phonon participation rates - used to characterize atomic vibrational information including the degree of localization and delocalization.

   MATLAB 28 10

3. AI4MD-lab/pySED AI4MD-lab/pySED Public

   pySED is a tool for calculating Phonon Spectral Energy Density and phonon lifetimes from MD simulation trajectories.

   sed 59 12

4. New-Version-Spectral-decomposition-python-tools New-Version-Spectral-decomposition-python-tools Public

   (NEW) Tools for computing spectral heat current distribution using LAMMPS NEMD simulations.

   Python 37 13

5. Phonon-Vibration-Viewer Phonon-Vibration-Viewer Public

   Visualizing lattice vibration information from phonon dispersion to atoms (For GPUMD)

   Jupyter Notebook 32 5

6. AI4MD-lab/PESMaker AI4MD-lab/PESMaker Public

   Foundation-potential-assisted workflow for application-oriented machine-learning potential dataset generation.

   Python 9 2