add atom energy bias to type embedding energy #1592
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Fix deepmodeling#684, where systems have different `atom_numb`. After this fix, RMSE should be quickly decreased in the very beginning.
Codecov Report
@@ Coverage Diff @@
## devel #1592 +/- ##
==========================================
- Coverage 76.75% 76.75% -0.01%
==========================================
Files 93 93
Lines 7790 7794 +4
==========================================
+ Hits 5979 5982 +3
- Misses 1811 1812 +1
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wanghan-iapcm
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Mar 25, 2022
njzjz
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Mar 28, 2022
Following deepmodeling#1592, I noticed that constants cannot be recovered when restart training.
amcadmus
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Mar 29, 2022
* convert constants (which may change) to variables Following #1592, I noticed that constants cannot be recovered when restart training. * add dtype to variables * cast int32 * bugfix * init atom_ener
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Fix #684, where systems have different
atom_numb. After this fix, RMSE of energy should be quickly decreased in the very beginning.