tovrstra/validation_eem_acks2_reaxff tovrstra/validation_eem_acks2_reaxff

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    5
  • Rank 2,861,937 (Top 57 %)
  • Language
    Python
  • License
    BSD 2-Clause "Sim...
  • Created about 8 years ago
  • Updated 6 months ago
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tovrstra/validation_eem_acks2_reaxff
github

tovrstra

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Repository Details

A reference implementation of the charge models in ReaxFF for validation purposes

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