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cbnc-uab / NanoGenCat

NanoGenCat is a computational tool to obtain realistic models of nanoparticles from bulk systems of any type of material
GNU General Public License v3.0
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Problem with coordination #29

Closed dagonzalezfo closed 5 years ago

dagonzalezfo commented 5 years ago

The reduce function has issues identifying the coordination of final nanoparticles.

dagonzalezfo commented 5 years ago

Solved by deleting first the unbounded atoms, and then, calculate the atom excess.