Commits · d943456879db12b0228d9b3d0c17eb301b9982c8 · espressomd / espresso

Apr 04, 2025
- for each particle (#5072) · d9434568
  kodiakhq[bot] authored 1 month ago
  d9434568
- Add for_each() functions to apply callbacks on particles · 14094c7a
  Rudolf Weeber authored 1 month ago and Jean-Noël Grad committed 1 month ago
  
  14094c7a
- Add heFFTe backend (#5063) · 6fca463c
  kodiakhq[bot] authored 1 month ago
  
  6fca463c
- Rewrite CoulombP3M with the heFFTe backend · fc141ce6
  Jean-Noël Grad authored 1 month ago
  fc141ce6
Apr 03, 2025
- Reduce overhead of particle creation (#5069) · 1ffc277e
  kodiakhq[bot] authored 1 month ago
  1ffc277e
- Return ParticleHandle from add_particle to avoid unnecessary ID lookup. · ac7dd672
  RiccardoFrenner authored 1 month ago
  
  ac7dd672
- New implementation of NPT ensemble based on Andersen equation (#5053) · 6e844787
  kodiakhq[bot] authored 1 month ago
  6e844787
Apr 02, 2025
- Re-implement NpT algorithm based on Andersen equation · 7e4c731c
  Hideki Kobayashi authored 1 month ago and Jean-Noël Grad committed 1 month ago
  
  7e4c731c
Mar 20, 2025
- Restructure installation documentation (#5062) · 7b8f89b2
  kodiakhq[bot] authored 1 month ago
  7b8f89b2
Mar 14, 2025
- Restructure installation instructions · 7a791200
  Jean-Noël Grad authored 1 month ago
  
  7a791200
Mar 13, 2025
- Update installation instructions for Linux and WSL · 78d5d905
  Jean-Noël Grad authored 1 month ago
  
  78d5d905
Mar 12, 2025
- Rewrite installation instructions for macOS · 9e38d8d6
  Jean-Noël Grad authored 1 month ago
  9e38d8d6
Mar 10, 2025
- Add DPD contribution to the pressure (#5045) · 51aed017
  kodiakhq[bot] authored 1 month ago
  51aed017
- Add DPD contribution to the pressure · 40b84eb0
  Mariano Brito authored 1 month ago and Jean-Noël Grad committed 1 month ago
  
  40b84eb0
Mar 07, 2025
- Fix regressions from the last CI/CD refactoring (#5052) · 31bfe6f3
  kodiakhq[bot] authored 2 months ago
  
  31bfe6f3
- Fix CI pipelines · 2c335936
  Jean-Noël Grad authored 2 months ago
  
  2c335936
Mar 06, 2025
- Sympy potential (#5019) · af376c1b
  kodiakhq[bot] authored 2 months ago
  af376c1b
- Add sympy tabulated potentials · 60e821f3
  Lukas Dorschel authored 2 months ago and Jean-Noël Grad committed 2 months ago
  60e821f3
- Fix regressions · 58b496cd
  Jean-Noël Grad authored 2 months ago
  
  58b496cd
Mar 04, 2025
- Add storage-agnostic function to add bonds between particles (#5047) · 91fcdfbc
  kodiakhq[bot] authored 2 months ago
  91fcdfbc
- Revert "New SFB1313 runner" · bf18a5a9
  Jean-Noël Grad authored 2 months ago
  bf18a5a9
- New add_bond framework · ddeb1c32
  Rudolf Weeber authored 2 months ago and Jean-Noël Grad committed 2 months ago
  
  ddeb1c32
- Bump version requirements (#5048) · d0e8b0ff
  kodiakhq[bot] authored 2 months ago
  d0e8b0ff
Feb 28, 2025
- Redesign CI infrastructure · a1e96f77
  Jean-Noël Grad authored 2 months ago
  a1e96f77
Feb 27, 2025
- Remove unused maintainer script · 2fb8d5c8
  Jean-Noël Grad authored 2 months ago
  
  2fb8d5c8
Feb 26, 2025
- New SFB1313 runner · 7db93800
  Jean-Noël Grad authored 2 months ago
  
  7db93800
Feb 24, 2025
- Use new GitLab-CI API · 9b723ce4
  Jean-Noël Grad authored 2 months ago
  
  9b723ce4
- Add support for CMake 4.0 · 7ccf207c
  Jean-Noël Grad authored 2 months ago
  
  7ccf207c
- Bump version requirements · 776e8682
  Jean-Noël Grad authored 2 months ago
  
  776e8682
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