Code

refactor DeepEval#3213

Code

Merged

wanghan-iapcm merged 25 commits intodeepmodeling:develdeepmodeling/deepmd-kit:develfrom njzjz:deepeval-refactornjzjz/deepmd-kit:deepeval-refactorCopy head branch name to clipboardFeb 8, 2024

+2,543-1,685

Commits

Commits on Feb 1, 2024

• refactor DeepEval

  Show description for e713910
  njzjz

  committed
  e713910

• fix cycle import

  Show description for b428fc2
  njzjz

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  b428fc2

• fix errors

  Show description for eb0b7d2
  njzjz

  committed
  eb0b7d2

• fix PT tests

  Show description for 02b3a6d
  njzjz

  committed
  02b3a6d

• fix FrozenModel

  Show description for 4fa8754
  njzjz

  committed
  4fa8754

• add docs

  Show description for 6026ab7
  njzjz

  committed
  6026ab7

Commits on Feb 2, 2024

• Merge branch 'devel' into deepeval-refactor

  njzjz

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  28c5c92

• rename .model_format to .dpmodel

  Show description for c262ef6
  njzjz

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  c262ef6

• rename DeepEvalBase to DeepEvalBackend as the meaning of base is unclear

  Show description for 4fe9511
  njzjz

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  4fe9511

• Merge remote-tracking branch 'origin/devel' into deepeval-refactor

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  e53b476

• ckean OutputVariableDef

  Show description for 5b16abf
  njzjz

  committed
  5b16abf

Commits on Feb 3, 2024

• make atom_types to be int32

  Show description for 51b5e7b
  

  njzjz

  and

  wanghan-iapcm

  authored
  51b5e7b

• add docs

  Show description for 3516792
  njzjz

  committed
  3516792

Commits on Feb 4, 2024

• pass list[OutputVariableDef] instead of bool

  Show description for 3bc7cb5
  njzjz

  committed
  3bc7cb5

• fix py38 compatibility

  Show description for acfd367
  njzjz

  committed
  acfd367

Commits on Feb 5, 2024

• Merge branch 'devel' into deepeval-refactor

  Show description for db6ac0d
  njzjz

  committed
  db6ac0d

• use consistent output name for different backends

  Show description for be4e42f
  njzjz

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  be4e42f

• remove the commented out code

  Show description for 199147c
  njzjz

  committed
  199147c

Commits on Feb 6, 2024

• Merge branch 'devel' into deepeval-refactor

  njzjz

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  355c671

• use OutputVariableCategory to check odef

  Show description for 8686fa1
  njzjz

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  8686fa1

• fix typo

  Show description for c0a4251
  njzjz

  committed
  c0a4251

Commits on Feb 8, 2024

• improve docs and type hints

  Show description for d7bf113
  njzjz

  committed
  d7bf113

• Merge branch 'devel' into deepeval-refactor

  njzjz

  committed
  acc85fb

• change the OutputVariableDef argument from differentiable to r_differentiable and c_differentiable

  Show description for 295f4d7
  njzjz

  committed
  295f4d7

• fix the virial shape since DERV_C changed from (3,3) to (9,)

  Show description for 6b104e3
  njzjz

  committed
  6b104e3