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1. High-Entropy-Alloys High-Entropy-Alloys Public

   Generate random alloys and compute various properties

   Python 46 11

2. Madelung-potential Madelung-potential Public

   calculate madelung potential from VASP CONTCAR file

   Python 7 3

3. Crystal_deformation_StrainVsEnergy Crystal_deformation_StrainVsEnergy Public

   Deforming crystal (lagrangian strain) for VASP

   Python 5 1

4. Script-to-extract-various-properties-from-VASP-OUTCAR-file Script-to-extract-various-properties-from-VASP-OUTCAR-file Public

   Scripts to extract various properties from VASP OUTCAR file

   Python 11 2

5. Nudge-Elastic-band-VASP Nudge-Elastic-band-VASP Public

   NEB technique for HEAs

   Python 6 2

6. SchNetModel1.0_on_MaterialProjectDatabase SchNetModel1.0_on_MaterialProjectDatabase Public

   SchNetPack Model on Material Project Database

   Python