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SCM-NV / pyZacros

Python Library for Automating Zacros Simulations
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Empty site! #69

Closed perasperadastra closed 2 years ago

perasperadastra commented 2 years ago

Hello, Im sure that this option should be somewhere in the code, but how we can add the "&" option to build lateral interacctions? Thanks.

nfaguirrec commented 2 years ago

Hi! Unfortunately, this option is not still available, but we will try to include it soon. Thanks for your interest in pyZacros.

nfaguirrec commented 2 years ago

It looks like it was not so hard to implement this option. Please, take a look at the new example (examples/LangmuirHinshelwood/LangmuirHinshelwood.py) and let me know if it works for you. Thanks!

perasperadastra commented 2 years ago

Hi! Thanks for the fast answer and improve. Despite i will like to say it works, it doen't for more complicated systems. The las error trace ist AttributeError: 'Cluster' object has no attribute 'is_adsorbed'. Thanks for your attention!.

nfaguirrec commented 2 years ago

Hi! If you send me a simplified version of your failing example, I can take a look at it and try to fix this issue. Thanks!

perasperadastra commented 2 years ago

Unfortunately I change my experiments and I am not currently using this option. But thanks for your attention!