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pyZacros
Python Library for Automating Zacros Simulations
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Enhance classes.
#37
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lopeztarifa
closed
4 years ago
lopeztarifa
commented
4 years ago
Polishing and enhancing the current status of the classes.
[x] Delete molar_fraction from Species and SpeciesList classes (#31).
[x] Improve ElementaryReaction Class: Argument neighboring must be optional (#32).
[x] Improve Cluster Class: Argument neighboring must be optional (#32).
[x] Check if molar fractions are compatible to user-defined Species labels (#31).
[x] Add the printing of molar fractions via KMCSettings (#31).
[x] Fix tests (after the merge).
Polishing and enhancing the current status of the classes.