Commits · 9f2d69af552ac1be7efc2caee0dacad4f6ab0f39 · espressomd / espresso

Feb 22, 2025
- add an observable for pairwise distance and an accumulator for contact times (#5032) · 9f2d69af
  kodiakhq[bot] authored 2 months ago
  9f2d69af
Feb 21, 2025
- Add contact time feature · d684f1e4
  blancoapa authored 2 months ago and Jean-Noël Grad committed 2 months ago
  d684f1e4
Feb 19, 2025
- Implement manual trigger of bond breakage (#4995) · 585ded23
  kodiakhq[bot] authored 2 months ago
  585ded23
- Implement manual trigger of bond breakage · 508c23f0
  Somesh Kurahatti authored 2 months ago and Jean-Noël Grad committed 2 months ago
  508c23f0
Feb 18, 2025
- Splitting kinetic energy into contributions (#5043) · 5c7ae80b
  kodiakhq[bot] authored 2 months ago
  5c7ae80b
- Split kinetic energy into linear and rotational contributions · 7dffa946
  David Beyer authored 2 months ago and Jean-Noël Grad committed 2 months ago
  7dffa946
Feb 17, 2025
- Use C++ ranges algorithms (#5041) · d50c3190
  kodiakhq[bot] authored 2 months ago
  
  d50c3190
Feb 13, 2025
- Use C++ ranges algorithms · 7b3753ad
  Jean-Noël Grad authored 2 months ago
  
  7b3753ad
- avoid custom ubb (#5003) · b8136362
  kodiakhq[bot] authored 2 months ago
  b8136362
- Remove UBB patch · 58665e83
  Rudolf Weeber authored 2 months ago and Jean-Noël Grad committed 2 months ago
  
  58665e83
Feb 11, 2025
- Allow to calc energy contrib for single bond (#5040) · 91fa77ac
  kodiakhq[bot] authored 2 months ago
  91fa77ac
- Calculate energy of single bond · 91922f1f
  Rudolf Weeber authored 2 months ago and Jean-Noël Grad committed 2 months ago
  
  91922f1f
- Support modern compilers, Python, Jupyter and NumPy releases (#5034) · cb3b2c9b
  kodiakhq[bot] authored 2 months ago
  cb3b2c9b
Feb 07, 2025
- Bump Python requirements · 644e8e02
  Jean-Noël Grad authored 3 months ago
  
  644e8e02
- Refactor script interface · 65133633
  Jean-Noël Grad authored 3 months ago
  65133633
- Refactor C++ code · 175b202c
  Jean-Noël Grad authored 3 months ago
  175b202c
Feb 06, 2025
- Bump compiler requirements · 97c0b64f
  Jean-Noël Grad authored 3 months ago
  
  97c0b64f
- Redesign tutorials CI/CD framework · 9a834b4e
  Jean-Noël Grad authored 3 months ago
  9a834b4e
Feb 04, 2025
- Fix python/pip/numpy/cmake portability issues · 499c549f
  Jean-Noël Grad authored 3 months ago
  
  499c549f
- Fix testsuite code coverage · 3d1661e5
  Jean-Noël Grad authored 3 months ago
  
  3d1661e5
- Allocating multiple blocks to one mpi rank in LB (#5026) · adf636d9
  kodiakhq[bot] authored 3 months ago
  adf636d9
- Allow multiple LB blocks per MPI rank · 9492001c
  Hideki Kobayashi authored 3 months ago and Jean-Noël Grad committed 3 months ago
  9492001c
Jan 24, 2025
- Encapsulate HDF5 module (#5031) · e0be7c73
  kodiakhq[bot] authored 3 months ago
  e0be7c73
Jan 23, 2025
- Encapsulate HDF5 module · a4a31f28
  Jean-Noël Grad authored 3 months ago
  a4a31f28
Jan 22, 2025
- Replace h5xx submodule by FetchContent · cb95fb99
  Jean-Noël Grad authored 3 months ago
  
  cb95fb99
Jan 21, 2025
- CMake: Improve compiler and libraries support · b2c5d267
  Jean-Noël Grad authored 3 months ago
  b2c5d267
- CMake: Re-order interface targets · 9bb7976b
  Jean-Noël Grad authored 3 months ago
  
  9bb7976b
Jan 17, 2025
- Improve code portability (#5020) · 74490c04
  kodiakhq[bot] authored 3 months ago
  74490c04
Jan 14, 2025
- Merge branch 'python' into bump_requirements · 5d58598e
  Jean-Noël Grad authored 3 months ago
  
  5d58598e
- Fix regressions and improve unit tests · 9b48d066
  Jean-Noël Grad authored 3 months ago
  
  9b48d066
Jan 13, 2025
- Upgrade CD pipeline (#5022) · ba9d026c
  kodiakhq[bot] authored 3 months ago
  ba9d026c
Jan 07, 2025
- Document jq commands · 77f7ede2
  Jean-Noël Grad authored 4 months ago
  
  77f7ede2
Dec 19, 2024
- Use GitLab REST API · 0c47be5b
  Jean-Noël Grad authored 4 months ago
  
  0c47be5b
Dec 18, 2024
- Floating-point exceptions instrumentation · 36d3537e
  Jean-Noël Grad authored 4 months ago
  
  36d3537e
- Custom Clang-Tidy diagnostics for each CMake target · f87aa664
  Jean-Noël Grad authored 4 months ago
  
  f87aa664
- Bump version requirements · e21f3b7d
  Jean-Noël Grad authored 4 months ago
  e21f3b7d
Dec 17, 2024
- Modernize codegen pipeline · 92988b23
  Jean-Noël Grad authored 4 months ago
  
  92988b23
- Remove sources of undefined behavior · 81e05cc0
  Jean-Noël Grad authored 4 months ago
  81e05cc0
- Simplify build system targets (#5018) · df11a0e5
  kodiakhq[bot] authored 4 months ago
  df11a0e5
Dec 16, 2024
- CMake: Redesign targets · a738812d
  Jean-Noël Grad authored 4 months ago
  
  a738812d