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SCM-NV / pyZacros

Python Library for Automating Zacros Simulations
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Mass calculation for species #22

Closed nfaguirrec closed 4 years ago

nfaguirrec commented 4 years ago

Now we can calculate the composition and mass of the species based on their symbols. This is particularly useful for the simulation_input.dat file.

19

Funding: SCM ReaxPro SO203

lopeztarifa commented 4 years ago

Hi @nfaguirrec,

Thanks for including the masses, it enables checks while constructing the objects, which is awesome! 👍

lopeztarifa commented 4 years ago

I thought I saw a bug, but no...

Thanks for your work!