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Commits on Jan 23, 2024

• Merge devel to master (deepmodeling#3165)

  Show description for b875ea8
  njzjz

  authored
  b875ea8

• Fix max nbor size related issues (deepmodeling#3157)

  denghuilu

  authored
  138ffef

Commits on Jan 22, 2024

• set dpgui entry point to deepmd_utils (deepmodeling#3161)

  Show description for e5f9117
  njzjz

  authored
  e5f9117

Commits on Jan 20, 2024

• resolve "Multiplication result converted to larger type" (deepmodeling#3159)

  Show description for 1097062
  njzjz

  authored
  1097062

• docs: document CP2K interface (deepmodeling#3158)

  Show description for 4d82430
  njzjz

  authored
  4d82430

• cmake: fix setting CMAKE_HIP_FLAGS (deepmodeling#3155)

  Show description for 937f03f
  

  njzjz

  and

  pre-commit-ci[bot]

  authored
  937f03f

• move OutOfMemoryError from deepmd to deepmd_utils (deepmodeling#3153)

  Show description for efe0962
  njzjz

  authored
  efe0962

• docs: update Amber interface (deepmodeling#3074)

  Show description for 8c1b467
  njzjz

  authored
  8c1b467

Commits on Jan 18, 2024

• cc: merge DeepPotBase and DeepTensor member functions (deepmodeling#3145)

  Show description for d915a91
  njzjz

  authored
  d915a91

• fix: some issue of the output def (deepmodeling#3152)

  Show description for 5493921
  

  4 peopleauthored
  5493921

Commits on Jan 17, 2024

• cc: refactor DataModifier for multiple-backend framework (deepmodeling#3148)

  Show description for 1efc7f8
  

  njzjz

  and

  pre-commit-ci[bot]

  authored
  1efc7f8

• cc: refactor DeepTensor for multiple-backend framework (deepmodeling#3151)

  Show description for 850575a
  njzjz

  authored
  850575a

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3147)

  Show description for 9be1ad2
  pre-commit-ci[bot]

  authored
  9be1ad2

• resolve "Multiplication result converted to larger type" (deepmodeling#3149)

  Show description for ed76cff
  njzjz

  authored
  ed76cff

Commits on Jan 15, 2024

• cc: refactor DeepPot to support multiple backends (deepmodeling#3142)

  Show description for e218f9c
  njzjz

  authored
  e218f9c

Commits on Jan 14, 2024

• move deepmd.entrypoints.{doc,gui} to deepmd_utils.entrypoints.{doc,gui} (deepmodeling#3144)

  Show description for 89d9a88
  njzjz

  authored
  89d9a88

• add cross-platform AutoBatchSize (deepmodeling#3143)

  Show description for 539e4ab
  njzjz

  authored
  539e4ab

Commits on Jan 13, 2024

• move utility to deepmd_utils (without modifaction) (deepmodeling#3140)

  Show description for 2096b80
  njzjz

  authored
  2096b80

• refactorize networks, now can be used cross platform (deepmodeling#3141)

  Show description for ae90498
  

  wanghan-iapcm

  and

  Han Wang

  authored
  ae90498

• refactorize NativeLayer, interface does not rely on the platform (deepmodeling#3138)

  Show description for 15117a0
  

  wanghan-iapcm

  and

  Han Wang

  authored
  15117a0

Commits on Jan 12, 2024

• support fitting net (deepmodeling#3137)

  Show description for 308f97e
  

  wanghan-iapcm

  and

  Han Wang

  authored
  308f97e

• fix: model check assumes __call__ as the forward method (deepmodeling#3136)

  Show description for d5590a4
  

  wanghan-iapcm

  and

  Han Wang

  authored
  d5590a4

• cc: refactor DeepPotModelDevi, making it framework-independent (deepmodeling#3134)

  Show description for 828df66
  njzjz

  authored
  828df66

• lmp: fix evflag initialization (deepmodeling#3133)

  Show description for 04f07ef
  njzjz

  authored
  04f07ef

• add definition for the output of fitting and model (deepmodeling#3128)

  Show description for ff58456
  

  4 peopleauthored
  ff58456

Commits on Jan 10, 2024

• add native Networks for mutiple Network classes (deepmodeling#3117)

  Show description for 43f9639
  njzjz

  authored
  43f9639

• doc string for dp model format descriptor se_e2_a (deepmodeling#3124)

  Show description for 398f037
  

  wanghan-iapcm

  and

  Han Wang

  authored
  398f037

• input order of env_mat changed to be consistent with descriptor (deepmodeling#3125)

  Show description for dac64cf
  

  wanghan-iapcm

  and

  Han Wang

  authored
  dac64cf

• Add dp model format sea (deepmodeling#3123)

  Show description for 438bc78
  

  wanghan-iapcm

  and

  Han Wang

  authored
  438bc78

Commits on Jan 9, 2024

• [pre-commit.ci] pre-commit autoupdate (deepmodeling#3116)

  Show description for a971d92
  pre-commit-ci[bot]

  authored
  a971d92

• Bump docker/metadata-action from 5.4.0 to 5.5.0 (deepmodeling#3115)

  Show description for 25cdd19
  dependabot[bot]

  authored
  25cdd19

• support numerical precision and env_mat (deepmodeling#3114)

  Show description for d1c0074
  

  3 peopleauthored
  d1c0074

Commits on Jan 8, 2024

• model format for the embedding net (deepmodeling#3113)

  Show description for f181a30
  

  4 peopleauthored
  f181a30

Commits on Jan 5, 2024

• fix native layer concat bug. (deepmodeling#3112)

  Show description for 7b3c3c0
  

  3 peopleauthored
  7b3c3c0

• NativeLayer: support None bias. (deepmodeling#3111)

  Show description for c4b7baa
  

  3 peopleauthored
  c4b7baa

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