ase calculator #23
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Linux-cpp-lisp
chen-jialan
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ase calculator
#23
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Hi, |
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Answered by
Linux-cpp-lisp
Feb 9, 2023
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Hi @chen-jialan , See mir-group/nequip#115 for an example of using |
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Hello, I am looking for some ase-allegro example, is there some please ? See mir-group/nequip#470 and mir-group/nequip#471 . |
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Linux-cpp-lisp
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Hi @chen-jialan ,
See mir-group/nequip#115 for an example of using
nequip.ase.NequIPCalculator, which works with Allegro in the exact same way.