use the function itself instead of the decorated calcfunction

[superstar54]

fix #488 .
To avoid creating an aiida node every time we change the kpoints_distance, we use the function itself instead of the decorated calcfunction.

[AndresOrtegaGuerrero]

Nice i didnt know we could use it like that!

[codecov]

Codecov Report

Attention: 4 lines in your changes are missing coverage. Please review.

Comparison is base (772f1fd) 80.72% compared to head (7cd64ac) 80.73%.
Report is 4 commits behind head on main.

❗ Current head 7cd64ac differs from pull request most recent head ae36a4a. Consider uploading reports for the commit ae36a4a to get more accurate results

Additional details and impacted files

@@           Coverage Diff           @@
##             main     #556   +/-   ##
=======================================
  Coverage   80.72%   80.73%           
=======================================
  Files          49       49           
  Lines        3414     3415    +1     
=======================================
+ Hits         2756     2757    +1     
  Misses        658      658           

Flag	Coverage Δ
python-3.10	80.73% <97.93%> (+<0.01%)	⬆️
python-3.8	80.77% <97.93%> (+<0.01%)	⬆️
python-3.9	80.77% <97.93%> (+<0.01%)	⬆️

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Files	Coverage Δ
src/aiidalab_qe/app/configuration/__init__.py	98.79% <100.00%> (ø)
src/aiidalab_qe/app/configuration/advanced.py	98.19% <100.00%> (ø)
src/aiidalab_qe/app/configuration/pseudos.py	88.98% <100.00%> (ø)
src/aiidalab_qe/app/result/summary_viewer.py	75.67% <100.00%> (+0.33%)	⬆️
src/aiidalab_qe/app/submission/__init__.py	81.06% <ø> (ø)
src/aiidalab_qe/plugins/bands/setting.py	100.00% <100.00%> (ø)
src/aiidalab_qe/plugins/pdos/setting.py	97.36% <100.00%> (ø)
tests/conftest.py	96.17% <100.00%> (ø)
tests/test_app.py	100.00% <100.00%> (ø)
tests/test_cli.py	100.00% <100.00%> (ø)
... and 6 more

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[superstar54]

AiiDA keeps the original function in the process_class, so that it can call this function later in the run method.

[unkcpz]

I like the implementation.

@AndresOrtegaGuerrero Sorry, I didn't realize you mentioned this calcfunction call. This is really not necessary for the provenance.

[AndresOrtegaGuerrero]

LGTM!