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Add cell_only to Vasp.calc_minimize #498

Merged
merged 1 commit into from
Jan 11, 2022
Merged

Add cell_only to Vasp.calc_minimize #498

merged 1 commit into from
Jan 11, 2022

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pmrv
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@pmrv pmrv commented Jan 10, 2022

Similar to the existing volume_only; sets ISIF=6.

@pmrv pmrv added the enhancement New feature or request label Jan 10, 2022
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Pull Request Test Coverage Report for Build 1677762103

  • 1 of 2 (50.0%) changed or added relevant lines in 1 file are covered.
  • No unchanged relevant lines lost coverage.
  • Overall coverage decreased (-0.002%) to 70.07%
Changes Missing Coverage Covered Lines Changed/Added Lines %
pyiron_atomistics/vasp/base.py 1 2 50.0%
Totals Coverage Status
Change from base Build 1663347601: -0.002%
Covered Lines: 11565
Relevant Lines: 16505
💛 - Coveralls

@pmrv pmrv merged commit 8d02a7c into master Jan 11, 2022
@delete-merged-branch delete-merged-branch bot deleted the cell-only branch January 11, 2022 17:21
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@sudarsan-surendralal sudarsan-surendralal sudarsan-surendralal approved these changes

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