Code

support merge_traj for lammps#838

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Merged

wanghan-iapcm merged 12 commits intodeepmodeling:develdeepmodeling/dpgen:develfrom HuangJiameng:merge_trajHuangJiameng/dpgen:merge_trajCopy head branch name to clipboardAug 30, 2022

+162-23

Commits

Commits on Aug 3, 2022

• support merge_traj

  HuangJiameng

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  2dc2286

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• Updata arginfo for model_devi_merge_traj

  HuangJiameng

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  e011524

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• Update arginfo.py

  HuangJiameng

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  36c1cf9

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Commits on Aug 11, 2022

• compare boolean values to True in correct way

  HuangJiameng

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  b5217d1

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Commits on Aug 15, 2022

• only read all.lammpstrj once

  HuangJiameng

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  8e87646

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• deprecate generate_single_traj

  HuangJiameng

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  0bb42d8

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• generate_single_traj

  HuangJiameng

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  cfa18bf

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Commits on Aug 18, 2022

• fix the type of all_traj

  HuangJiameng

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  e3cc4bd

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Commits on Aug 25, 2022

• won't create empty traj dir when merge_traj is true and fix backward_files

  HuangJiameng

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  4e884bc

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Commits on Aug 27, 2022

• fix a typo

  HuangJiameng

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  af6902d

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Commits on Aug 29, 2022

• add the unittest of the function get_all_dumped_forces

  

  HuangJiameng

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  bb06359

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• Merge branch 'merge_traj' of github.com:HuangJiameng/dpgen into merge_traj

  

  HuangJiameng

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  14dd401

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