Commits · master · Mueller Research Group / KpLib · GitLab

Apr 09, 2023
- Update version number. · 7ad807da
  Yunzhe Wang authored Apr 09, 2023
  
  View commits for tag v1.1.1 v1.1.1
  
  7ad807da
- Fix MANIFEST.in problem to miss .h files in the kplib library. · d43e0733
  Yunzhe Wang authored Apr 09, 2023
  
  d43e0733
- Update README about installation instruction. · c5a8cb82
  Yunzhe Wang authored Apr 08, 2023
  
  View commits for tag v1.1.0 v1.1.0
  
  c5a8cb82
- Hard coded the version number to v1.1.0 and to pass CI/CD. · aee94a3b
  Yunzhe Wang authored Apr 08, 2023
  
  aee94a3b
Apr 08, 2023
- Add script to compare equivalence of K-points to test CLI and demo_kplib in CI/CD. · cc82532c
  Yunzhe Wang authored Apr 08, 2023
  
  cc82532c
Apr 07, 2023
- CI/CD fix. · 5bf71cd7
  Yunzhe Wang authored Apr 06, 2023
  
  5bf71cd7
- Update CI/CD to stop deploy for now. · 259b2597
  Yunzhe Wang authored Apr 06, 2023
  
  259b2597
- Fix CI/CD error because of a change of file name. · 67104bf9
  Yunzhe Wang authored Apr 06, 2023
  
  67104bf9
- Fix CI/CD tests. · f601fa15
  Yunzhe Wang authored Apr 06, 2023
  
  f601fa15
- Improve significantly README.md. Include explanations of all get_kpoints arguments. · 8263ba02
  Yunzhe Wang authored Apr 06, 2023
  
  8263ba02
Apr 06, 2023
- Add keys to the dict returned by get_kpoints for users' convenience and update README.md · ee7b0128
  Yunzhe Wang authored Apr 06, 2023
  
  ee7b0128
Apr 05, 2023
- Make arguments to get_kpoints more intuitive and update README.md for the Python usage part. · e70c43d3
  Yunzhe Wang authored Apr 05, 2023
  
  e70c43d3
- Add more tests. Have at least one test for each of the seven crystal systems. · 47809bf9
  Yunzhe Wang authored Apr 04, 2023
  
  47809bf9
Apr 03, 2023
- Update README. · fadb8ca6
  Yunzhe Wang authored Apr 02, 2023
  
  fadb8ca6
- Fix the monoclinic test case. · 03cc34fb
  Yunzhe Wang authored Apr 02, 2023
  
  03cc34fb
- Fix CI/CD typo and add monoclinic test case. · 36c6c32c
  Yunzhe Wang authored Apr 02, 2023
  
  36c6c32c
- Add back the deploy stage. It only publish to PyPI when a tagged commit with... · 177be6ee
  Yunzhe Wang authored Apr 02, 2023
  177be6ee
- Separate installation and CLI dependencies. Remove as much as possible dependencies. · 104e5aea
  Yunzhe Wang authored Apr 02, 2023
  
  104e5aea
- Stop auto deployment for now. · 5dc6ea9e
  Yunzhe Wang authored Apr 02, 2023
  
  5dc6ea9e
- Rotate the conventional vectors along row axis in the python interface for... · f8fd2114
  Yunzhe Wang authored Apr 02, 2023
  f8fd2114
Apr 02, 2023
- Avoid implicit idealization of conventional matrix for trigonal in hR system... · 05eede84
  Yunzhe Wang authored Apr 02, 2023
  05eede84
- Add more tests and examples. Especially for trigonal systems in both hP and hR setting. · 4d798a29
  Yunzhe Wang authored Apr 02, 2023
  
  4d798a29
Apr 01, 2023
- Add assertions to pytest. · df3734ff
  Yunzhe Wang authored Apr 01, 2023
  
  df3734ff
- Fixed bug that failed orthorhombic cases. Need to use m_ConventionalVectors at... · 1e112026
  Yunzhe Wang authored Apr 01, 2023
  1e112026
Mar 31, 2023
- Fixed pybind11 interface to properly accept and passback arrays. · 8848420a
  Yunzhe Wang authored Mar 31, 2023
  
  8848420a
Mar 30, 2023
- Remove the call of a constructor from another constructor. It's not allowed in C++. · 2219bc8e
  Yunzhe Wang authored Mar 30, 2023
  
  2219bc8e
Apr 22, 2021
- Update README. Move python interface forward before the documentation. · 9f96d56d
  Yunzhe Wang authored Apr 22, 2021
  
  View commits for tag v1.0.5 v1.0.5
  
  9f96d56d
Apr 16, 2021
- Fix license classifier · 4f074087
  Shyam Dwaraknath authored Apr 16, 2021
  
  View commits for tag v1.0.4 v1.0.4
  
  4f074087
- Env variable should work now. · ee5390aa
  Shyam Dwaraknath authored Apr 16, 2021
  
  View commits for tag v1.0.3 v1.0.3
  
  ee5390aa
- Update License. · cb614c42
  Shyam Dwaraknath authored Apr 16, 2021
  
  cb614c42
- Update .gitlab-ci.yml · 2c0f908d
  Shyam Dwaraknath authored Apr 16, 2021
  
  View commits for tag v1.0.2 v1.0.2
  
  2c0f908d
- Fix build_ext import · e5e140ac
  Shyam Dwaraknath authored Apr 16, 2021
  
  e5e140ac
- Fix pybind11 import in pip install · 85b700b4
  Shyam Dwaraknath authored Apr 16, 2021
  
  85b700b4
- Fix .gitlab-ci.yml for tagged deploy · 3c185b1f
  Shyam Dwaraknath authored Apr 16, 2021
  
  3c185b1f
- Merge branch 'release_updates' into 'master' · 58c305bc
  Yunzhe Wang authored Apr 16, 2021
  View commits for tag v1.0.1 v1.0.1
  
  58c305bc
- Add keywords and categories · f40b2777
  Shyam Dwaraknath authored Apr 15, 2021
  
  f40b2777
- Add readme to long description · cb797e4f
  Shyam Dwaraknath authored Apr 15, 2021
  
  cb797e4f
- more docstrings · 6d041184
  Shyam Dwaraknath authored Apr 15, 2021
  
  6d041184
- fix pymatgen import for future updates · d01734be
  Shyam Dwaraknath authored Apr 15, 2021
  
  d01734be
- Add email for questions in Readme · 685a9b50
  Shyam Dwaraknath authored Apr 15, 2021
  
  685a9b50