bjmorgan / vasppy / 5506715159

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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

74 of 74 new or added lines in 2 files covered. (100.0%)

790 of 2170 relevant lines covered (36.41%)

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