Skip to content
Snippets Groups Projects
Commit 9a2ec429 authored by Giovanni Bussi's avatar Giovanni Bussi
Browse files

Small cleanup in WholeMolecules 

* Eliminated a possible tricky method to modify atom by relative index
* Eliminated duplicates in requested atom list

I also added a operators to AtomNumber, so it can be sorted with STL
algorithms
parent 1b3b8260
No related branches found
No related tags found
Hide whitespace changes
Inline Side-by-side
0% or .
You are about to add 0 people to the discussion. Proceed with caution.
Finish editing this message first!
Please register or to comment