Code

4.2.1rc#4611

Code

Merged

jngrad merged 51 commits intoespressomd:4.2espressomd/espresso:4.2from jngrad:4.2.1rcjngrad/espresso:4.2.1rcCopy head branch name to clipboardApr 17, 2023

+5,081-2,156

Commits

Commits on Nov 25, 2022

• Use new codecov uploader (espressomd#4600)

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  kodiakhq[bot]

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  jngrad

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  383dbbf

• core: Remove unused parameter

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  82f6585

• doc: Add support for VS Code Jupyter backend

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  d168ff3

• doc: Add support for KaTeX

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  4870af6

• Fix bugs in espressomd.analyze module (espressomd#4534)

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  kodiakhq[bot]

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  e5d7313

• Brownian dynamics: propagate spatially fixed yet freely rotatable particles (espressomd#4548)

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  kodiakhq[bot]

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  06cee16

• GitHub Workflows security hardening (espressomd#4577)

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  kodiakhq[bot]

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• Test LB profile observables in parallel (espressomd#4583)

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  kodiakhq[bot]

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  1f57b81

• update, shorten text in active matter tutorial (espressomd#4585)

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  kodiakhq[bot]

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• Reaction methods bug fixes (espressomd#4589)

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  kodiakhq[bot]

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• Add support for modern Clang compilers (espressomd#4601)

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  kodiakhq[bot]

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  fd26065

• Summer School wrap-up (espressomd#4597)

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  kodiakhq[bot]

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• Core maintenance (espressomd#4606)

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  kodiakhq[bot]

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  203b050

• Fix unit tests environment variables (espressomd#4607)

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  kodiakhq[bot]

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  ac2332e

Commits on Dec 23, 2022

• CMake: Add missing license headers

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• Build system improvements (espressomd#4608)

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  kodiakhq[bot]

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  d99da37

• tests: Check reaction algorithm more thoroughly

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  jngrad

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  jonaslandsgesell

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  12acd00

• Allow multiple concurrent reaction methods (espressomd#4609)

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  kodiakhq[bot]

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  cec34e2

• Implement override_cutoff_check property for vs. (espressomd#4623)

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  kodiakhq[bot]

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• fixed system.part.pairs() (espressomd#4628)

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  kodiakhq[bot]

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  19c7a54

• Remove deprecated numpy options (espressomd#4635)

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  kodiakhq[bot]

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  1d299e7

• Bump GitHub Actions dependencies (espressomd#4638)

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  kodiakhq[bot]

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• Rewrite particle serialization mechanism (espressomd#4637)

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  kodiakhq[bot]

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• Improve testing and code coverage (espressomd#4631)

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  kodiakhq[bot]

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  1f96dd9

• CMake: Fix broken test target for label parallel_odd

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  jngrad

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  847983f

Commits on Jan 19, 2023

• Update type map when clearing the particle list (espressomd#4648)

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  jngrad

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  11d7ccd

• Code maintenance (espressomd#4562)

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  kodiakhq[bot]

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  aadd283

• Restore LB boundaries during checkpointing (espressomd#4649)

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  db7ec79

• Fix regressions in auto-exclusions (espressomd#4654)

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  kodiakhq[bot]

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  d54012e

Commits on Mar 2, 2023

• Fix build on Boost 1.81 (espressomd#4655)

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  kodiakhq[bot]

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  4f97192

• Fix tutorial deployment to GitHub Pages (espressomd#4656)

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  kodiakhq[bot]

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  56a2172

• build(deps): bump nbconvert from 6.4.5 to 6.5.1 (espressomd#4658)

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  kodiakhq[bot]

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  2e1fe34

• script_interface: Fix dict_keys-list merge bug (espressomd#4674)

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  kodiakhq[bot]

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• Make trajectories more reproducible during checkpointing (espressomd#4677)

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  kodiakhq[bot]

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  8b8025e

• Remove 1-core restriction for NSquare and HybridDecomposition + LB. (espressomd#4676)

  

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• Enable P3M for hybrid decomposition with one MPI node (espressomd#4678)

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• Prevent insertion of particles with negative mass (espressomd#4679)

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• core: Check reaction gamma

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Commits on Mar 10, 2023

• Documentation maintenance (espressomd#4681)

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  kodiakhq[bot]

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• Fix operator transformation from body frame to lab frame (espressomd#4683)

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  kodiakhq[bot]

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• Visualizer bugfixes (espressomd#4686)

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  kodiakhq[bot]

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Commits on Mar 21, 2023

• fix particle anisotropy in thermostats (espressomd#4690)

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  kodiakhq[bot]

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  985cfc6

• Catch invalid reaction method argument

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  db25215

• Fix regression in OpenGL visualizer

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  289ac79

• Improve freeglut support in OpenGL visualizer (espressomd#4691)

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  kodiakhq[bot]

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Commits on Mar 28, 2023

• Simplify VS_Relative, fix VS support for Lees Edwards (espressomd#4564)

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  kodiakhq[bot]

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Commits on Mar 29, 2023

• Fix issues with cluster analysis and chain analysis (espressomd#4698)

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  kodiakhq[bot]

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  565d188

Commits on Apr 14, 2023

• Rewrite coordinates folding of virtual sites relative (espressomd#4707)

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  kodiakhq[bot]

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  7b502df

• tests: Remove flaky test

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  jngrad

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  3e9a6bf

Commits on Apr 17, 2023

• Fix minor regressions in 4.2.0 (espressomd#4538)

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  kodiakhq[bot]

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• Add support for ARM architectures (espressomd#4708)

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