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Bump custodian from 2023.3.10 to 2023.5.7 #260

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merged 1 commit into from
May 7, 2023

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@dependabot dependabot bot commented on behalf of github May 7, 2023

Bumps custodian from 2023.3.10 to 2023.5.7.

Release notes

Sourced from custodian's releases.

v2023.5.7

See changes at https://materialsproject.github.io/custodian

Changelog

Sourced from custodian's changelog.

v2023.5.7

  • VASP Handler: Better error checking for too_few_nbands (@​arosen93)
  • VASP Handler: General clean up and mitigating unnecessary INCAR swaps (@​arosen93)
  • VASP Handler: Remove deprecated handlers and kwargs (@​arosen93)
  • VASP Handler: Add a new correction for the ZPOTRF ZTRTRI error that is specific to small structures (@​arosen93)
  • VASP Handler: Add a new handler for the SET_CORE_WF error (@​arosen93)
  • VASP Handler: Only apply the algo_tet handler if SCF convergence failed (@​arosen93)
  • VASP Handler: AMIN handler should only be applied if SCF is not converged (@​arosen93)
  • VASP Handler: Do not set ADDGRID to True (@​arosen93)

v2023.3.8

v2022.5.26

  • PR #219 from @​samblau. Q-Chem updates to NBO, new geometry optimizer, revamped SCF error handling.

v2022.5.17

v2022.2.13

  • Support for new Lobster versions (@​naik-aakash)
  • Bug fix for termination of gamma VASP runs.

v2022.1.17

  • New NBANDS not sufficient handler in VASP (@​arosen93)
  • New VASP error handling for VASP 6.2.1 HNFORM error (@​arosen93)
  • Improve zbrent handler by trying to get IBRION = 2 to succeed before switching to IBRION = 1 (@​arosen93)
  • Updates to ALGO handling with grad_not_orth and algo_tet (@​arosen93)

v2021.12.2

  • Address new VASP6 inconsistent Bravais lattice error (@​arosen93)
  • Don't check for drift if NSW = 1 (@​arosen93)
  • [VASP] Switch from IBRION = 1 --> 2 if the BRIONS error occurs more than once (@​arosen93)
  • Handle finite difference ncore error (@​utf)
  • [VASP] More robust zbrent fix (@​arosen93)
  • [VASP] Increase posmap error count (@​arosen93)
  • [VASP] Update real_optlay logic to avoid LREAL = True (@​arosen93)
  • [VASP] More appropriate grad_not_orth fix and new algo_tet error handler (@​arosen93)

... (truncated)

Commits
  • a058337 Update dev docs
  • 5ec3819 Update changelog.
  • 63bb0a6 Merge branch 'master' of github.com:materialsproject/custodian
  • 68d2de5 New version.
  • e892f40 Merge pull request #250 from arosen93/fix-double-algotet
  • b5ca125 Merge pull request #252 from arosen93/bands
  • dda61db Add comment
  • f95cdfe Update NBANDS checker
  • 3ed3549 Merge remote-tracking branch 'origin/bands' into bands
  • 18ae8a4 Resolve master branch conflict
  • Additional commits viewable in compare view

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Bumps [custodian](https://github.com/materialsproject/custodian) from 2023.3.10 to 2023.5.7.
- [Release notes](https://github.com/materialsproject/custodian/releases)
- [Changelog](https://github.com/materialsproject/custodian/blob/master/docs_rst/changelog.rst)
- [Commits](materialsproject/custodian@v2023.3.10...v2023.5.7)

---
updated-dependencies:
- dependency-name: custodian
  dependency-type: direct:development
  update-type: version-update:semver-minor
...

Signed-off-by: dependabot[bot] <support@github.com>
@dependabot dependabot bot added the dependencies Dependency update or issue label May 7, 2023
@Andrew-S-Rosen Andrew-S-Rosen merged commit e153e6b into main May 7, 2023
@Andrew-S-Rosen Andrew-S-Rosen deleted the dependabot/pip/custodian-2023.5.7 branch May 7, 2023 20:53
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