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Add Function to calculate the Maxwell-Boltzmann distribution of kinetic energy#166

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andthum merged 2 commits intomainfrom
feat/core/statistics/kinetic-energy-distribution
May 17, 2023
Merged

Add Function to calculate the Maxwell-Boltzmann distribution of kinetic energy#166
andthum merged 2 commits intomainfrom
feat/core/statistics/kinetic-energy-distribution

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@andthum andthum commented May 17, 2023

Add Function to calculate the Maxwell-Boltzmann distribution of kinetic energy

Type of change

  • Change of core package.
  • Change of scripts.
  • Bug fix.
  • New feature.
  • Code refactoring.
  • Dependency update.
  • Documentation update.
  • Maintenance.
  • Other: Description.
  • Non-breaking (backward-compatible) change.
  • Breaking (non-backward-compatible) change.

Proposed changes

Create a new function mdtools.statistics.ekin_dist that returns the distribution of kinetic energies in d-dimensional space.

PR checklist

  • I followed the guidelines in the Developer's guide.
  • New/changed code is properly tested.
  • New/changed code is properly documented.
  • The CI workflow is passing.

andthum added 2 commits May 17, 2023 11:46
Create a new function `mdtools.statistics.ekin_dist` that returns the
distribution of kinetic energies in d-dimensional space.
@github-actions github-actions bot added enhancement New feature or request minor Change that results in a new minor version labels May 17, 2023
@andthum andthum merged commit b614b7c into main May 17, 2023
@andthum andthum deleted the feat/core/statistics/kinetic-energy-distribution branch May 17, 2023 11:03
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