Code

Fix orbital moments#166

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Merged

martin-schlipf merged 17 commits intomastervasp-dev/py4vasp:masterfrom fix_orbital_momentsvasp-dev/py4vasp:fix_orbital_momentsCopy head branch name to clipboardJan 28, 2025

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Commits

Commits on Jun 7, 2024

• WIP: hide input files

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  066043c

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• WIP: remove input files

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  3056a24

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Commits on Jun 17, 2024

• Fix calculations tests

  martin-schlipf

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  d737e52

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• Rename Calculations -> Batch

  martin-schlipf

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  1740d6c

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• Prevent numpy 2 installation

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  aee6016

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• Update lock files

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  ac9f063

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• VASP does not write charge component for orbital moments

  martin-schlipf

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  f0c8a10

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• Fix s component not present in orbital moments

  martin-schlipf

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  047571c

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• Merge branch 'master' into fix_orbital_moments

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Commits on Jan 28, 2025

• Merge branch 'master' into fix_orbital_moments

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  dbf6260

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• Fix partial density tests

  martin-schlipf

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  4760c8d

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• Fix density test

  martin-schlipf

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  8d3275d

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• Remove test for input files

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  4df856d

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• Fix format

  martin-schlipf

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  dd86faa

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• Rename topology -> stoichiometry

  martin-schlipf

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  68cea47

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• Use poetry v1 for CI

  martin-schlipf

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  412c285

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• Fix format

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  10485a6

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