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Ran 10 Jul 2023 10:02AM UTC

Files 45

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Committed 10 Jul 2023 10:00AM UTC coverage: 36.46% (-0.4%) from 36.827%

Job # 5506715159.3

Build Type

push

github

Committed by

web-flow

Commit Message

Convergence Testing (#25)

* Add subdivisions to kspacing functionality

* Add convergence_testing script

* Remove redundant import

* Add convergence_testing script to entry points

* Improve CLI description of convergence_testing

* Improve documentation and cast subdivisions to int

* Add unit tests for new functions

* Add missing defaults to docstrings

* Add further unit tests for optional kwargs

* Make allowed_kspacing immutable and type hint

* Adjust unit tests for allowed_kspacing type change

* Break docstring lines for readability

* Add subdivisions to kspacing functionality

* Add convergence_testing script

* Remove redundant import

* Add convergence_testing script to entry points

* Improve CLI description of convergence_testing

* Improve documentation and cast subdivisions to int

* Add unit tests for new functions

* Add missing defaults to docstrings

* Add further unit tests for optional kwargs

* Make allowed_kspacing immutable and type hint

* Adjust unit tests for allowed_kspacing type change

* Break docstring lines for readability

* Remove redunant whitespace

* Implement suggested styling changes

* Initialise variable as float for clearer typing

* Correct docstring for convergence_testing function

* Relax type hint for subdivisions return value

* Type: ignore for pymatgen.io.vasp imports

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