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Commits on Sep 20, 2024

• v0.2.21 (#729)

  njzjz

  authored
  6387419

• feat: support spin for ABACUS (#718)

  Show description for c1d6c73
  

  3 peopleauthored
  c1d6c73

• Fix: qe/pw/scf unit conversion is not consistent with dpdata (#725)

  Show description for 482775f
  

  3 peopleauthored
  482775f

• fix: qe input blocks not seperated by empty lines (#724)

  Show description for 2648d50
  

  wanghan-iapcm

  and

  Han Wang

  authored
  2648d50

• feat: support data type dumped to a different name (#727)

  Show description for a2fbdd8
  njzjz

  authored
  a2fbdd8

Commits on Sep 18, 2024

• [pre-commit.ci] pre-commit autoupdate (#722)

  Show description for 480242e
  pre-commit-ci[bot]

  authored
  480242e

Commits on Sep 11, 2024

• Feat: Support specifying proportion of atoms to be perturbed in System (#716)

  Show description for fb942bb
  

  Chengqian-Zhang

  and

  pre-commit-ci[bot]

  authored
  fb942bb

Commits on Sep 10, 2024

• [pre-commit.ci] pre-commit autoupdate (#720)

  Show description for 1de5ace
  pre-commit-ci[bot]

  authored
  1de5ace

Commits on Sep 4, 2024

• Update ase.py: To avoid errors in writing to the .extxyz format from an Atom object coverted from .npy with dpdata. (#717)

  ZhouXY-PKU

  authored
  976cf16

• docs: fix directives (#715)

  Show description for e393a8c
  njzjz

  authored
  e393a8c

Commits on Sep 3, 2024

• merge master to devel (v0.2.20) (#714)

  njzjz

  authored
  a78f19e

• v0.2.20 (#713)

  njzjz

  authored
  c685e62

• [pre-commit.ci] pre-commit autoupdate (#712)

  Show description for bad0285
  pre-commit-ci[bot]

  authored
  bad0285

• fix: only apply comp_prec for floating dtypes (#711)

  Show description for c311d16
  njzjz

  authored
  c311d16

• feat: file object passed to open (#709)

  Show description for 6bf41e3
  

  njzjz

  and

  pre-commit-ci[bot]

  authored
  6bf41e3

• fix: fix a typo in #702 (#710)

  Show description for 5df6acd
  njzjz

  authored
  5df6acd

Commits on Aug 31, 2024

• docs: reformat README and documentation (#707)

  Show description for f4d0adf
  njzjz

  authored
  f4d0adf

• fix: reuse regular methods for deepmd/mixed (#704)

  Show description for 35fdbb8
  

  njzjz

  and

  wanghan-iapcm

  authored
  35fdbb8

• test: mixed data format: test if the index_map (when type_map is provided) works (#706)

  Show description for 6d082f1
  

  wanghan-iapcm

  and

  Han Wang

  authored
  6d082f1

• test: support comparison between two multi systems (#705)

  Show description for f8a1b6b
  

  wanghan-iapcm

  and

  Han Wang

  authored
  f8a1b6b

Commits on Aug 29, 2024

• feat: customized dtypes for unlabeled deepmd (#702)

  Show description for 676517a
  

  njzjz

  and

  pre-commit-ci[bot]

  authored
  676517a

Commits on Aug 27, 2024

• [pre-commit.ci] pre-commit autoupdate (#700)

  Show description for 0a50f4d
  

  pre-commit-ci[bot]

  and

  wanghan-iapcm

  authored
  0a50f4d

• docs: migrate from m2r2 to myst-parser (#701)

  Show description for 2fb0804
  njzjz

  authored
  2fb0804

Commits on Aug 20, 2024

• [pre-commit.ci] pre-commit autoupdate (#697)

  Show description for cbcbb92
  pre-commit-ci[bot]

  authored
  cbcbb92

Commits on Aug 13, 2024

• [pre-commit.ci] pre-commit autoupdate (#696)

  Show description for 3c19ced
  pre-commit-ci[bot]

  authored
  3c19ced

Commits on Aug 6, 2024

• [pre-commit.ci] pre-commit autoupdate (#694)

  Show description for 5b54e3d
  pre-commit-ci[bot]

  authored
  5b54e3d

Commits on Aug 3, 2024

• [pre-commit.ci] pre-commit autoupdate (#690)

  Show description for c565517
  pre-commit-ci[bot]

  authored
  c565517

Commits on Jul 31, 2024

• Bump CodSpeedHQ/action from 2 to 3 (#691)

  Show description for 42dd136
  dependabot[bot]

  authored
  42dd136

Commits on Jul 23, 2024

• [pre-commit.ci] pre-commit autoupdate (#685)

  Show description for cc4001a
  pre-commit-ci[bot]

  authored
  cc4001a

Commits on Jul 18, 2024

• [pre-commit.ci] pre-commit autoupdate (#677)

  Show description for c21c538
  

  pre-commit-ci[bot]

  and

  wanghan-iapcm

  authored
  c21c538

Commits on Jul 16, 2024

• docs: pin sphinx-argparse to < 0.5.0 (#683)

  Show description for 6227f49
  njzjz-bot

  authored
  6227f49

Commits on Jul 9, 2024

• fix: remove ref-names from .git_archival.txt (#679)

  Show description for 1c62239
  njzjz-bot

  authored
  1c62239

Commits on Jul 2, 2024

• abacus: fix bug in collecting force (#669)

  Show description for e429d9a
  

  3 peopleauthored
  e429d9a

Commits on Jul 1, 2024

• [pre-commit.ci] pre-commit autoupdate (#675)

  Show description for fb85312
  

  pre-commit-ci[bot]

  and

  njzjz

  authored
  fb85312

Commits on Jun 11, 2024

• [pre-commit.ci] pre-commit autoupdate (#674)

  Show description for a9a8b48
  pre-commit-ci[bot]

  authored
  a9a8b48

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