Switching function #2446
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Hello, I see in the documentation of the se_a.py descriptor (this line) that the switching function is a fifth order polynomial instead of the cosine function described in the DeepPotential-SE paper. I used the DeePMD-kit versions v2.0.0.b2 and v2.1.3 in my work. Which switching function was used by default in each case? I tried to read the code to see which function was used, but I wasn't successful. Thank you. Regards, Pablo |
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Replies: 1 comment 1 reply
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The switching function is a fifth order polynomial since b688b6b (v0.12.0). We will have a new preprint next week, which should be followed instead of the old paper. |
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Thanks, @njzjz, for the clear answer. |
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The switching function is a fifth order polynomial since b688b6b (v0.12.0).
We will have a new preprint next week, which should be followed instead of the old paper.