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1. PaiNN-model PaiNN-model Public

   This is a simple but efficient implementation of PaiNN-model for constructing machine learning interatomic potentials

   Python 12 1

2. VASProcar-Python-tools-for-DFT-calculations VASProcar-Python-tools-for-DFT-calculations Public

   Python 3 code for extracting information and results from the following VASP output files (CONTCAR, KPOINTS, OUTCAR, PROCAR, DOSCAR, LOCPOT, PARCHG and vasprun.xml).

   Python 2 2

3. BoltzTraP_Tools BoltzTraP_Tools Public

   Forked from K4ys4r/BoltzTraP_Tools

   BoltzTraP_Tools is an interface written using Python 2 language. It allows to parse and plot BoltzTraP output DATA

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4. BoltzGnu BoltzGnu Public

   Forked from K4ys4r/BoltzGnu

   BoltzGnu Contains Gnuplot Scripts which allow to plot BoltzTraP Output Data

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5. matgenb matgenb Public

   Forked from materialsvirtuallab/matgenb

   Jupyter notebooks demonstrating the utilization of open-source codes for the study of materials science.

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6. VASP_Scripts VASP_Scripts Public

   Forked from K4ys4r/VASP_Scripts

   Jupyter Notebook