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CHANGELOG.md

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Change Log

[1.3.0] July 15th 2024

  • Added support for COLVARS package

[1.2.2] May 19th 2024

  • Updated three.js to v165

[1.2.1] Dec 18th 2022

  • Added memory usage to statistics output

[1.2.0] Dec 11th 2022

  • Added plotting of variables (equal style variables)
  • Added plotting of fixes (currently only plotting fix ave/time)
  • Fixed bad labels on compute plots

[1.1.0] Nov 17th 2022

  • Added synchronization of fix ave/time. Useful for smooth RDF time averaging or other time averages
  • Fixed bad radii for particles after LAMMPS sorting
  • Fixed bug where dynamic number of particles and bonds did not work

[1.0.0] Nov 3rd 2022

  • Added feature to create new simulations where you can upload your own files
  • Added plotting of computes (e.g. kinetic energy vs time or compute RDF)
  • Improved SSAO and lighting settings
  • Fixed so sidebar can be collapsed on mobile devices
  • Fixed so modifier active state is preserved when simulation summary is reopened

[0.4.3] Oct 29th 2022

  • Showing modifiers (syncing of particles and bonds etc) in simulation summary
  • Can click example images to start example
  • Can color atoms by per atom compute (kinetic energy etc)

[0.4.2] Oct 27th 2022

  • Added simulation summary sidebar
  • Added simulation summary overlay
  • Added Voro++ package to LAMMPS
  • If analysis notebook is specified in the example, open it directly when Notebook is clicked
  • Removed simd optimization since this breaks on Safari (both Mac and iOS)

[0.4.1] Oct 19th 2022

[0.3.1] Oct 18th 2022

  • Added JupyterLite for post simulation analysis
  • Only sync particles and bonds when View is active
  • Improved light settings

[0.2.1] Oct 17th 2022

  • Added new example simulations
  • Added SSAO support for improved rendering
  • Added render settings
  • Added progressbar during simulation
  • Adjusted default size on particles and bonds
  • Syncing with LAMMPS during energy minimization
  • Fixed bad coloring when LAMMPS changes ordering of atoms

[0.1.5] Oct 16th 2022

  • Showing last LAMMPS command in error
  • UI is more mobile friendly
  • Showing console after simulation is finished

[0.1.4] Oct 15th 2022

  • Added stop button
  • Added console to show LAMMPS output
  • Handling exceptions from LAMMPS to show command errors

[0.1.3] Oct 10th 2022

  • Added rendering of dynamic bonds using LAMMPS neighbor lists
  • Fixed canvas size

[0.1.2] Oct 4rd 2022

  • Can browse GitHub tree and run simulations
  • Using React 18
  • Can modify sync frequency

[0.1.1] Sept 18th 2022

Initial prototype with ## OMOVI rendering data from ## LAMMPS in the browser.