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@github-actions github-actions released this 20 Feb 10:07
· 8 commits to main since this release
v0.15.0
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NQCDynamics v0.15.0

Diff since v0.14.0

Merged pull requests:

  • Phonon thermostat (#349) (@Alexsp32)
  • Changed location of get_hopping_eigenvalues() to SurfaceHoppingMethods.jl (#353) (@Ash-Baldwin)
  • Memory allocation tests now check upper bounds (#355) (@Alexsp32)
  • Moved general surface hopping functions to SurfaceHoppingMethods.jl (#356) (@Ash-Baldwin)

Closed issues:

  • RP-BCME Tests occasionally fail (#313)
  • Analysis.Diatomic get_desorption_frame logic errors for very short trajectories (#342)
  • Documentation: Explain how to set temperature for MDEF + 2TM simulations (#348)
  • Allocation-based unit tests for Julia v.1.11 (#354)

Contributors

Alexsp32 and Ash-Baldwin
Assets 2
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