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

   Generate random alloys and compute various properties

   Python 70 12

2. Madelung-potential Madelung-potential Public

   calculate madelung potential from VASP CONTCAR file

   Python 8 3

3. Crystal_deformation_StrainVsEnergy Crystal_deformation_StrainVsEnergy Public

   Deforming crystal (lagrangian strain) for VASP

   Python 7 1

4. vasp-grace-tensorpotential vasp-grace-tensorpotential Public

   A wrapper to use GRACE MLIP as a drop-in replacement for VASP backend

   Python 2

5. FULLMAP FULLMAP Public

   Ultra-fast Ehull via LP (HiGHS C++)

   HTML