14353834638
32%

Ran 09 Apr 2025 09:32AM UTC

Jobs 1

Files 17

Run time 2min

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Committed 09 Apr 2025 09:32AM UTC coverage: 31.314% (+9.6%) from 21.747%

Build # 14353834638

Build Type

push

github

Specific Base e89527

Committed by

web-flow

Commit Message

FHI-aims Parameter Enhancements (#50)

* Adding parsing of basis functions

* New function to add keywords to control.in

* Redesign of periodic_table to fix parsing basis functions

* ✨ Add cube output for user-specified unit cell.

* Added new MultiDict class for aims keywords

* Added test control.in written by ASE

---------

Co-authored-by: Alexander Spears <alexander.spears@warwick.ac.uk>

Run Details

1034 of 3302 relevant lines covered (31.31%)

0.31 hits per line

Uncovered Existing Lines

Lines	Coverage	∆	File
1	90.0	90.0%	utils/run_utils.py
6	92.59	63.32%	parameters.py
13	77.19	-5.66%	utils/periodic_table.py
32	51.39	25.58%	utils/file_utils.py
39	28.16	0.0%	utils/math_utils.py
95	0.0	0.0%	vibrations.py
96	72.87	23.96%	output.py

Jobs

ID	Job ID	Ran	Files	Coverage
1	14353834638.1	09 Apr 2025 09:32AM UTC	17	31.31	GitHub Action Run

maurergroup / dfttoolkit / 14353834638
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maurergroup / dfttoolkit / 14353834638 32%

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maurergroup / dfttoolkit / 14353834638
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