How to customize SYMMETRY FUNCTIONS ? #30
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Answered by
beckobert
Nov 28, 2023
Replies: 1 comment
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Since this question concerns the N2P2 package, I advice to check out the official N2P2 documentation, in particular this section AML will only write symmetry functions if the
so simply delete this line and insert your own preferred symmetry functions instead. |
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Answer selected by
wangjiuning123
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Since this question concerns the N2P2 package, I advice to check out the official N2P2 documentation, in particular this section
AML will only write symmetry functions if the
input.nnfile contains the formatting instructionsso simply delete this line and insert your own preferred symmetry functions instead.