descriptor type choices #164
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njzjz
Feiyang472
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In the training file what are possible choices for Sorry if this has been brought up. I just couldn't find it in any of the documentation. |
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Answered by
njzjz
Jan 29, 2020
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deepmd-kit/source/train/Trainer.py Lines 76 to 86 in 984ef69 Four types are supported: |
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njzjz
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Thank you for your reply. |
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deepmd-kit/source/train/Trainer.py
Lines 76 to 86 in 984ef69
Four types are supported:
loc_frame
,se_a
,se_r
, andse_ar
. The last 3 types are based on the DeePot-SE method.