ENH: Add the option to optimize QDs and XYn-dissociated QDs in the dissociation workflow

[BvB93]

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[codecov]

Codecov Report

Merging #113 (536eba6) into master (f2478a7) will increase coverage by 0.01%.
The diff coverage is 80.00%.

@@            Coverage Diff             @@
##           master     #113      +/-   ##
==========================================
+ Coverage   51.50%   51.51%   +0.01%     
==========================================
  Files          35       35              
  Lines        2798     2803       +5     
==========================================
+ Hits         1441     1444       +3     
- Misses       1357     1359       +2     

Impacted Files	Coverage Δ
nanoCAT/bde/bde_workflow.py	62.40% <80.00%> (-0.10%)	⬇️

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