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Add vasp_function() - use VASP job in a functional approach #1473

Draft

jan-janssen wants to merge 1 commit into main from vasp_function

Member

jan-janssen commented Jun 30, 2024

Currently missing features:

restart files are not yet implemented.
setting pseudo potentials


          Add vasp_function() - use VASP job in a functional approach

57f59e7

jan-janssen marked this pull request as draft

June 30, 2024 19:57

coveralls commented Jun 30, 2024 •

edited

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Pull Request Test Coverage Report for Build 9734559429

Details

6 of 82 (7.32%) changed or added relevant lines in 1 file are covered.
No unchanged relevant lines lost coverage.
Overall coverage decreased (-0.3%) to 70.721%

Changes Missing Coverage	Covered Lines	Changed/Added Lines	%
pyiron_atomistics/vasp/vasp.py	6	82	7.32%

Totals
Change from base Build 9683374437:	-0.3%
Covered Lines:	10693
Relevant Lines:	15120

💛 - Coveralls

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