Add doc for model deviation#1153
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amcadmus merged 4 commits intodeepmodeling:develfrom Sep 17, 2021
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## devel #1153 +/- ##
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- Coverage 75.66% 64.28% -11.39%
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Files 89 5 -84
Lines 7048 14 -7034
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njzjz
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Sep 15, 2021
doc/third-party/lammps-command.md
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| - models = frozen model(s) to compute the interaction. If multiple models are provided, then the model deviation will be computed | ||
| - models = frozen model(s) to compute the interaction. | ||
| If multiple models are provided, then only the first model serves to provide energy and force prediction for molecular dynamics, | ||
| and the model deviation will be computed among all models. |
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The energy and force will be computed every step, but the model deviation will be only computed every out_freq steps.
denghuilu
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njzjz
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Sep 17, 2021
Co-authored-by: Jinzhe Zeng <jinzhe.zeng@rutgers.edu>
amcadmus
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…eepmodeling#1153)" This reverts commit d8acbb8.
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…t_fp_abacus_scf() (deepmodeling#1153) Co-authored-by: pre-commit-ci[bot] <66853113+pre-commit-ci[bot]@users.noreply.github.com>
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