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Develop #74

Merged
merged 9 commits into from
Jun 5, 2024
Merged

Develop #74

merged 9 commits into from
Jun 5, 2024

Commits on May 20, 2024

  1. Plotting robustness; allow unrecognised distortion names (in case use… 

    …r renames), and add tests
    @kavanase
    kavanase committed May 20, 2024
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  2. Update test

    @kavanase
    kavanase committed May 20, 2024
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Commits on May 31, 2024

  1. Update troubleshooting tip about updating pymatgen/monty etc if a… 

    …ny issues
    @kavanase
    kavanase committed May 31, 2024
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  2. Remove user potcar functional typing import (moved to TYPE_CHECKING… 

    … block in new `pymatgen`)
    @kavanase
    kavanase committed May 31, 2024
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Commits on Jun 3, 2024

  1. Make oxi state guessing more efficient, refactoring, use updated dope… 

    …d function
    @kavanase
    kavanase committed Jun 3, 2024
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  2. Update tests

    @kavanase
    kavanase committed Jun 3, 2024
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  3. Merge branch 'refs/heads/main' into develop

    @kavanase
    kavanase committed Jun 3, 2024
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Commits on Jun 5, 2024

  1. Update espresso and aims file writing functions to work with new ASE … 

    …(checked both forwards and backwards compatible)
    @kavanase
    kavanase committed Jun 5, 2024
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  2. Bump changelog and version number for release

    @kavanase
    kavanase committed Jun 5, 2024
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