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Io testchecks #12

Merged
merged 9 commits into from
Sep 9, 2024
Merged

Io testchecks #12

merged 9 commits into from
Sep 9, 2024

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benrich37
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quick fix

benrich37 and others added 9 commits September 9, 2024 14:20
…erialsproject#903)

* add structures to eos output

* fix defaults in phonon schema

* add qha flows and one full workflow test

* really add qha flows

* fix description of qha schema file

* remove tests

* add schema test instead

* new test files

* remove future import

* Fix tests by changing the warning treatment back to default after the QHA api

* fix linting

* add switch to eos types

* change how warnings are treated

* add safer code for literal

* add more tests

* fix tests add kwargs

* Fix tests

* Fix tests

* reformat

* linting

* update prev calc

* Apply suggestions from code review

* fix test tolerance

* draft a first vasp workflow

* fix return

* fix return

* make analysis optional and and names for jobs

* add vasp test

* fix document

* fix dc

* update

* fix phonon tests

* fix linting

* fix schema

* change to phonon static

* change phonon maker

* fix tests

* fix test

* update qha_fresh

* fix comments

* fix comments

* connect flows

* fix linting

* correct documentation

* document workflows, fix imports
@benrich37 benrich37 merged commit 9a84f7a into main Sep 9, 2024
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2 participants