Mdsuite: comprehensive post-processing tool for particle simulations

HIGHLIGHTS

  • who: Samuel Tovey from the (UNIVERSITY) have published the research: MDSuite: comprehensive post-processing tool for particle simulations, in the Journal: (JOURNAL)
  • what: The Project class acts as a container for multiple Experiment objects and can be used to collect property values for each of the classes and compare them with respect to a desired parameter.
  • how: This data is stored in a compressed manner within the MDS-DB. The PMF (wu03b1u03b2 ) computed between species u03b1 and u03b2 can be used to understand effective binding strength between atomic species . Detailed information about this . . .

     

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