Commits · 1.1.0 · Max Pinheiro Jr / ULaMDyn · GitLab

Nov 11, 2024
- Merge branch 'soap_pylint_clear' into 'master' · e3eaf4eb
  Max Pinheiro Jr authored Nov 11, 2024
  View commits for tag 1.1.0 1.1.0
  
  e3eaf4eb
- fix(descriptors): resolve Pylint issue in `descriptors.py` module · 301a0d29
  Bidhanchandra Garain authored Nov 11, 2024 and Max Pinheiro Jr committed Nov 11, 2024
  301a0d29
- version-changelog update [ci skip] · bf852400
  ci_bot authored Nov 11, 2024
  
  bf852400
- bump: version 1.0.1 → 1.1.0 · 95ea8fd7
  ci_bot authored Nov 11, 2024
  
  95ea8fd7
- feat(descriptor): implement soap descriptor · c008277b
  Max Pinheiro Jr authored Nov 11, 2024
  c008277b
Nov 09, 2024
- descriptors part modified · a00bc05d
  Bidhan Chandra Garain authored Nov 09, 2024
  
  a00bc05d
Nov 08, 2024
- Merge branch 'soap' of https://gitlab.com/maxjr82/ulamdyn into soap · 784be568
  Bidhan Chandra Garain authored Nov 08, 2024
  
  784be568
- Fixes to conform to lint report · e3b304b3
  Bidhan Chandra Garain authored Oct 14, 2024
  
  e3b304b3
- Import Sorting is fixed · c9acbf74
  Bidhan Chandra Garain authored Oct 14, 2024
  
  c9acbf74
- This implements the average of the SOAP descriptor. · 353d8afa
  Bidhan Chandra Garain authored Oct 10, 2024
  
  353d8afa
- Updated requirements and added SOAPDescriptor class · 4f5edadd
  Bidhan Chandra Garain authored Oct 07, 2024
  
  4f5edadd
Oct 26, 2024
- version-changelog update [ci skip] · d6edc4b8
  ci_bot authored Oct 26, 2024
  
  d6edc4b8
- bump: version 1.0.0 → 1.0.1 · 1501b922
  ci_bot authored Oct 26, 2024
  
  1501b922
- fix(ci): testing CI workflow for first release · 9abb4282
  Max Pinheiro Jr authored Oct 26, 2024
  
  View commits for tag 1.0.1 1.0.1
  
  9abb4282
- feat(ci): introduce CI workflow for version bump, build, and release automation · e444bc52
  Max Pinheiro Jr authored Oct 26, 2024
  View commits for tag 1.0.0 1.0.0
  
  e444bc52
Oct 19, 2024
- chore(ci): add GitLab CI integration with version bump step, and release · 94ad0cb9
  Max Pinheiro Jr authored Oct 19, 2024
  
  94ad0cb9
- Merge branch 'deploy_pipeline' into 'master' · 52fd00fd
  Max Pinheiro Jr authored Oct 19, 2024
  52fd00fd
- chore(ci): add GitLab CI integration with version bump step, and release · 3dbbc6ea
  Max Pinheiro Jr authored Oct 19, 2024
  
  3dbbc6ea
Oct 14, 2024
- Fixes to conform to lint report · b84e788a
  Bidhan Chandra Garain authored Oct 14, 2024
  
  b84e788a
- Import Sorting is fixed · adf5e038
  Bidhan Chandra Garain authored Oct 14, 2024
  
  adf5e038
Oct 10, 2024
- This implements the average of the SOAP descriptor. · ca2c2e15
  Bidhan Chandra Garain authored Oct 10, 2024
  
  ca2c2e15
Oct 07, 2024
- Updated requirements and added SOAPDescriptor class · bd2911b0
  Bidhan Chandra Garain authored Oct 07, 2024
  
  bd2911b0
Oct 06, 2024
- Merge branch 'linter_refactor' into 'master' · ab72ead8
  Max Pinheiro Jr authored Oct 06, 2024
  ab72ead8
- feat: code refactoring for PEP8 alignment & first implementation of CI pipeline for lint checking. · 00b2787c
  Max Pinheiro Jr authored Oct 06, 2024
  
  00b2787c
Sep 02, 2024
- Merge branch 'NX-interface-updates' into 'master' · f0801272
  Max Pinheiro Jr authored Sep 02, 2024
  f0801272
- feat: update functions for compatibility with NX (NS and CS) outputs · 5001206f
  Rafael Souza authored Sep 02, 2024 and Max Pinheiro Jr committed Sep 02, 2024
  
  5001206f
- fix: update functions due to deprecation in latest Numpy versions · 694fa806
  Max Pinheiro Jr authored Sep 02, 2024
  
  694fa806
Aug 30, 2024
- build : add folders to gitignore · 80ca42bb
  Rafael Souza authored Aug 30, 2024
  
  80ca42bb
- fix : deal with deprecated np.mat -> np.asmatrix · 76be9ce1
  Rafael Souza authored Aug 30, 2024
  
  76be9ce1
- fix : calling align geoms as a function · 09e74c8c
  Rafael Souza authored Aug 30, 2024
  
  09e74c8c
- fix : calling kurt from a series (df column) instead of whole dataframe · 59875acc
  Rafael Souza authored Aug 30, 2024
  
  59875acc
- fix : deal with deprecated np.int -> np.int64 · 91d41a7e
  Rafael Souza authored Aug 30, 2024
  
  91d41a7e
Aug 29, 2024
- chore: Refactor package configuration for better development · 319dda88
  Max Pinheiro Jr authored Aug 29, 2024
  
  319dda88
Aug 25, 2024
- Refactor package structure for better development · a9a299cb
  Max Pinheiro Jr authored Aug 25, 2024
  
  a9a299cb
Oct 23, 2023
- Merge branch 'units' into 'master' · 3547f092
  Max Pinheiro Jr authored Oct 23, 2023
  3547f092
Oct 07, 2023
- Update file save_xyz.py · b09ba779
  Matheus Bispo authored Oct 07, 2023
  
  b09ba779
- Update 3 files · 07247c37
  Matheus Bispo authored Oct 07, 2023
  07247c37
- Merge branch 'master' into 'master' · ae13be70
  Max Pinheiro Jr authored Oct 07, 2023
  ae13be70
Oct 06, 2023
- bugfix: occupation was not summing to 1 · 1bb64749
  Rafael Souza authored Oct 06, 2023
  1bb64749
- bugfix: exra timesteps at hopping time · d517e571
  Rafael Souza authored Oct 06, 2023
  d517e571