Dpdata

New features
* gaussian: support PBC by njzjz in https://github.com/deepmodeling/dpdata/pull/397
* Add support for 'deepmd/npy/mixed' format with dpdata.MultiSystems by iProzd in https://github.com/deepmodeling/dpdata/pull/422 https://github.com/deepmodeling/dpdata/pull/425

Enhancements
* Refactor(abacus): return None but not raise error when energy can not be found in scf by pxlxingliang in https://github.com/deepmodeling/dpdata/pull/402
* refactor(abacus): get energy by keyword "final etot is" in abacus/scf by pxlxingliang in https://github.com/deepmodeling/dpdata/pull/417
* docs: update installation commands by njzjz in https://github.com/deepmodeling/dpdata/pull/403
* accept np.ndarray as index by njzjz in https://github.com/deepmodeling/dpdata/pull/407
* docs: add the list of drivers and minimizers by njzjz in https://github.com/deepmodeling/dpdata/pull/415
* add .git-blame-ignore-revs to hide formatting changes in git blame by njzjz in https://github.com/deepmodeling/dpdata/pull/419
* follow the numpydoc style guide by njzjz in https://github.com/deepmodeling/dpdata/pull/420

Code fomatting
* lint and automatic lint by njzjz in https://github.com/deepmodeling/dpdata/pull/413
* format Python codes in docs by njzjz in https://github.com/deepmodeling/dpdata/pull/414
* add isort to sort imports by njzjz in https://github.com/deepmodeling/dpdata/pull/418


Bug fixings
* fix pass action by njzjz in https://github.com/deepmodeling/dpdata/pull/400
* fix a bug in 397 by njzjz in https://github.com/deepmodeling/dpdata/pull/401
* Fix(abacus): add judgment on the existence of INPUT/running_scf.log/STRU files in abacus/scf by pxlxingliang in https://github.com/deepmodeling/dpdata/pull/405
* Fix(abacus/relax): refactor the read of results from log file by pxlxingliang in https://github.com/deepmodeling/dpdata/pull/409
* fix a doc typo in plugins/gaussian.py by njzjz in https://github.com/deepmodeling/dpdata/pull/410
* Correct the headers in README.md by iProzd in https://github.com/deepmodeling/dpdata/pull/424
* pin parmed version for py37 by njzjz in https://github.com/deepmodeling/dpdata/pull/416


New Contributors
* iProzd made their first contribution in https://github.com/deepmodeling/dpdata/pull/422

**Full Changelog**: https://github.com/deepmodeling/dpdata/compare/0.2.13...0.2.14

What's Changed
* Update README.md: add 'abacus/stru' format key by LiangWenshuo1118 in https://github.com/deepmodeling/dpdata/pull/392
* Fix: remove the reading of `ntype` in the parsing of abacus structure by pxlxingliang in https://github.com/deepmodeling/dpdata/pull/394

New Contributors
* LiangWenshuo1118 made their first contribution in https://github.com/deepmodeling/dpdata/pull/392

**Full Changelog**: https://github.com/deepmodeling/dpdata/compare/0.2.12...0.2.13

Important bug fixing
* sort by atom idx for dump (the type of atoms are aligned against the first frame) by njzjz in https://github.com/deepmodeling/dpdata/pull/388

Enhancement
* docs: update information about Python requirements by njzjz in https://github.com/deepmodeling/dpdata/pull/386

**Full Changelog**: https://github.com/deepmodeling/dpdata/compare/0.2.11...0.2.12

Enhancements:
- migrate from setup.py to pyproject.toml (366)
- drop Python 3.6 support (369)
- remove duplicated rot_lower_triangular (370)
- support max_steps for ase minimizer (372)
- add Optional to type hints when default is None (382)
- add pass step to GitHub Actions (384)

Bug fixings:
- fix(abacus): do not collect the unconverged structure for AIMD (368)
- fix codecov (373)
- fix bug in reading lammps trajs with random tid (377)
- fix issue 381. Raise runtime error when perturbing labeled system (383)

New features:
- 3dmol format for visualization in jupyter (357)
- add Minimizer plugin and System.minimize method (304)

Enhancements:
- replace deprecated np.int by int (340)
- docs: add authors section for credits (345)
- add unwrap support for lammps dump (339)
- cp2k: Update output.py (346)
- add option to ignore convergence check for `vasp/contcar` (355)

Bug fixings:
- fix abacus: transfer coords[-1] to numpy type in relax.py:`get_coords_from_log()` (343)
- fix DataError message (351)
- vasp: find the line index of viral in OUTCAR (352)
- bugfix: add pbc information from ase atoms (358)
- abacus: fix the judgement of convergence in abacus/scf (360)
- fix compatible with importlib_metadata 5.0.0 and Python 3.12 (362)

New features:
- add gaussian input format and driver (314)
- add correction method to MultiSystems (315)
- add stat module to compute MAE and RMSE (316 330 )
- add the support for abacus/relax (332)

Enhancements:
- drop conda in the test workflow (313)
- add dpdata cli docs (317)
- improve accuracy of sqm input coordinates (325)
- ouput position difference if cp.pos is inconsistent with cp.cel (327)
- add UT for to_system for abacus interface (334)

Bug fixings:
- Fix virial of cp2k (324)
- update input parameters in abacus.scf UT to be compatible with abacus >= 2.2 (335)