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  1. This project contains the data for evaluation of interatomic potentials/force-fields (used in Moecular-dynamics and Monte-carlo simulations). LAMMPS calculation were done using MPinterface code (ht…

    Python 5 2

  2. Forked from henniggroup/GASP-python

    Genetic algorithm for structure and phase prediction interfaced to GULP, LAMMPS and VASP.

    Jupyter Notebook

  3. Forked from materialsproject/pymatgen

    Python Materials Genomics (pymatgen) is a robust materials analysis code that defines core object representations for structures and molecules with support for many electronic structure codes. It i…


  4. Forked from Materials-Consortia/optimade-python-tools

    Tools for implementing and consuming OPTIMADE APIs in Python


776 contributions in the last year

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Contribution activity

May 2021

Created 1 commit in 1 repository

Created a pull request in usnistgov/jarvis that received 1 comment

Queue.slurm update.

+6 −4 1 comment

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