Allow for the user to override the templates in GenericFileIOCalculators
The new GenericFileIOCalculator
s have a lot of modularity, including the ability (in principle) to customize the I/O processes of the calculator. The I/O is often taken care of via a template object, but this template is hard-coded in all GenericFileIOCalculator
s. Ideally, just like with the profile, we should allow for (expert) users to override the template with their own custom template if they feel so inclined.
@askhl: What are your thoughts on this? If you think it is reasonable, I will clean up this MR (e.g. add docstrings). If there was another way one was supposed to do this, please let me know.
Checklist
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I am familiar with ASE's contribution guidelines. - [] Doc strings in code changed in this MR are up to date.
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Unit tests have been added for new or changed code. -
Issue is resolved via "closes #XXXX" if applicable.
Edited by Andrew Rosen