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Calculation of weight fraction

Betim Bahtiri
Betim Bahtiri
56 Posts
November 29, 2020, 2:03 pm

Hello

is it possible with ovito to calculate the weight fraction of each molecule or atom type ? Or is it only possible with a python script ?

Best regards

#1
Constanze Kalcher
Constanze Kalcher
375 Posts
November 30, 2020, 11:57 am

Hi Betim,

this sounds like you could achieve this with the Compute Property Modifier,

https://www.ovito.org/docs/current/particles.modifiers.compute_property.php,

but that depends on your input data. The easiest way is to do this is probably through the scripting interface.

-Constanze

#2