sozykinsa / GUI4dft

GUI4dft - first free SIESTA oriented GUI
MIT License
21 stars 6 forks source link

Model creators 0 d 1 d 2 d 3 d #27

Closed sozykinsa closed 1 year ago

sozykinsa commented 1 year ago

Implemented an interface to some functions of the ASE atomic model generator.

codecov[bot] commented 1 year ago

Codecov Report

Base: 85.00% // Head: 84.30% // Decreases project coverage by -0.71% :warning:

Coverage data is based on head (e4e885a) compared to base (5194d82). Patch coverage: 74.17% of modified lines in pull request are covered.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #27 +/- ## ========================================== - Coverage 85.00% 84.30% -0.71% ========================================== Files 35 35 Lines 11223 11550 +327 ========================================== + Hits 9540 9737 +197 - Misses 1683 1813 +130 ``` | Flag | Coverage Δ | | |---|---|---| | unittests | `84.30% <74.17%> (-0.71%)` | :arrow_down: | Flags with carried forward coverage won't be shown. [Click here](https://docs.codecov.io/docs/carryforward-flags?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#carryforward-flags-in-the-pull-request-comment) to find out more. | [Impacted Files](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin) | Coverage Δ | | |---|---|---| | [src/src\_gui4dft/program/ase.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL3NyY19ndWk0ZGZ0L3Byb2dyYW0vYXNlLnB5) | `5.12% <12.50%> (+0.39%)` | :arrow_up: | | [src/src\_gui4dft/program/crystal.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL3NyY19ndWk0ZGZ0L3Byb2dyYW0vY3J5c3RhbC5weQ==) | `59.70% <12.90%> (-40.30%)` | :arrow_down: | | [src/src\_gui4dft/program/vasp.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL3NyY19ndWk0ZGZ0L3Byb2dyYW0vdmFzcC5weQ==) | `76.85% <18.18%> (-22.02%)` | :arrow_down: | | [src/src\_gui4dft/qtbased/mainform.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL3NyY19ndWk0ZGZ0L3F0YmFzZWQvbWFpbmZvcm0ucHk=) | `62.61% <30.26%> (-0.70%)` | :arrow_down: | | [src/core\_gui\_atomistic/helpers.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL2NvcmVfZ3VpX2F0b21pc3RpYy9oZWxwZXJzLnB5) | `87.16% <52.08%> (-10.26%)` | :arrow_down: | | [src/core\_gui\_atomistic/atomic\_model.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL2NvcmVfZ3VpX2F0b21pc3RpYy9hdG9taWNfbW9kZWwucHk=) | `82.79% <67.27%> (-2.28%)` | :arrow_down: | | [src/src\_gui4dft/utils/importer\_exporter.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL3NyY19ndWk0ZGZ0L3V0aWxzL2ltcG9ydGVyX2V4cG9ydGVyLnB5) | `87.50% <71.42%> (ø)` | | | [src/core\_gui\_atomistic/atom.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL2NvcmVfZ3VpX2F0b21pc3RpYy9hdG9tLnB5) | `100.00% <100.00%> (ø)` | | | [src/core\_gui\_atomistic/guiopenglbase.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL2NvcmVfZ3VpX2F0b21pc3RpYy9ndWlvcGVuZ2xiYXNlLnB5) | `47.76% <100.00%> (+0.07%)` | :arrow_up: | | [src/core\_gui\_atomistic/periodic\_table.py](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin#diff-c3JjL2NvcmVfZ3VpX2F0b21pc3RpYy9wZXJpb2RpY190YWJsZS5weQ==) | `97.56% <100.00%> (+0.05%)` | :arrow_up: | | ... and [4 more](https://codecov.io/gh/sozykinsa/GUI4dft/pull/27?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin) | | Help us with your feedback. Take ten seconds to tell us [how you rate us](https://about.codecov.io/nps?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin). Have a feature suggestion? [Share it here.](https://app.codecov.io/gh/feedback/?utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=Sergey+Sozykin)

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