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Devel update#4

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iProzd merged 189 commits intoiProzd:develfrom
deepmodeling:devel
Apr 19, 2021
Merged

Devel update#4
iProzd merged 189 commits intoiProzd:develfrom
deepmodeling:devel

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@iProzd iProzd commented Apr 19, 2021

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Han Wang and others added 30 commits March 5, 2021 08:28
New interface of neighbor list. Switching from `descrpt_se_a` to `prod_env_mat`
add test CI for api_cc
ZiyaoLi and others added 29 commits April 15, 2021 13:26
get_batch function optimized.
update requirement of dargs
Separate training and validation dataset
seperate impl of averging errors across systems
…over a dict. Not using ClassArg in trainer anymore
Bug fixings related to using validate dataset
Printing the training error with exactly the batch used to train
@iProzd iProzd merged commit 7feb3a4 into iProzd:devel Apr 19, 2021
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8 participants