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Background

  • Does a better job of partition function calculations for molecular hydrogen.
  • Corrects a bug where I was using the non-equilibrium expression for the H2 energy, as well.
  • Correctly handle X=0 and Y=0 cases.

Contains all of the changes in the unit testing MR. The EOS unit test was very helpful in debugging and checking everything was working. I have improved it some more.

Description of Changes

Checklist

  • New features are documented
  • Tests added for bug fixes and new features
  • (@lanl.gov employees) Update copyright on changed files

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3 participants