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v0.11.1

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@AnguseZhang AnguseZhang released this 22 Mar 17:49
· 196 commits to master since this release
4be4f6d

Breaking changes:

Enhancements:

  • Add parameter 'srtab_file_path' so that one can use DP-ZBL potential successfully by @Chengqian-Zhang in #918
  • Refactor: remove association between ABACUS/STRU and the element number in param.json by @pxlxingliang in #1076
  • choose numb_steps/stop_batch automatically by @njzjz in #1086
  • replace distutils.version.LooseVersion by packaging.version.Version by @njzjz in #1095
  • Support forward files for simplify by @HuangJiameng in #1092
  • Replace "python3" in command by sys.executable by @HuangJiameng in #1105
  • add an option to merge data to one H5 file by @njzjz in #1119
  • add and run pre-commit to format codes by @njzjz in #1124
  • refactor(abacus): link the pp/orb files defined in STRU not jdata by @pxlxingliang in #1127
  • Raise warnings if there is no system in the path listed in sys_configs by @HuangJiameng in #1130
  • Updated the revise_lmp_input_dump function. by @panxiang126 in #1137
  • add isort to sort imports by @njzjz in #1133
  • always pass codecov status by @njzjz in #1157

Documentation, argument parsing and examples

Bug fixings:

New Contributors

Full Changelog: v0.11.0...v0.11.1