Code

add ASE's traj support#614

Code

Merged

njzjz merged 55 commits intodeepmodeling:develdeepmodeling/dpdata:develfrom thangckt:tha_develthangckt/dpdata:tha_develCopy head branch name to clipboardMar 19, 2024

+255-2

Commits

Commits on Mar 13, 2024

• add ASE's traj

  thangckt

  committed
  820ca84

  Copy full SHA for 820ca84

• Update ase.py

  thangckt

  committed
  4594981

  Copy full SHA for 4594981

• Update ase.py

  thangckt

  committed
  b055b88

  Copy full SHA for b055b88

• Update ase.py

  thangckt

  committed
  bde8b7b

  Copy full SHA for bde8b7b

• Update ase.py

  thangckt

  committed
  0377b27

  Copy full SHA for 0377b27

• finish add ASE's traj support

  thangckt

  committed
  da3daa8

  Copy full SHA for da3daa8

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 70f7813
  pre-commit-ci[bot]

  committed
  70f7813

  Copy full SHA for 70f7813

• Update ase.py

  thangckt

  committed
  65d2797

  Copy full SHA for 65d2797

• Merge branch 'tha_devel' of https://github.com/thangckt/dpdata into tha_devel

  thangckt

  committed
  42ff2b0

  Copy full SHA for 42ff2b0

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 7f1a398
  pre-commit-ci[bot]

  committed
  7f1a398

  Copy full SHA for 7f1a398

• Update ase.py

  thangckt

  committed
  59e3247

  Copy full SHA for 59e3247

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for a381f89
  pre-commit-ci[bot]

  committed
  a381f89

  Copy full SHA for a381f89

Commits on Mar 14, 2024

• Update ase.py

  thangckt

  committed
  1585ff8

  Copy full SHA for 1585ff8

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 2fefd7f
  pre-commit-ci[bot]

  committed
  2fefd7f

  Copy full SHA for 2fefd7f

• Update ase.py

  thangckt

  committed
  793745c

  Copy full SHA for 793745c

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 76895a7
  pre-commit-ci[bot]

  committed
  76895a7

  Copy full SHA for 76895a7

• Update ase.py

  thangckt

  committed
  a12c374

  Copy full SHA for a12c374

• Update test_ase_traj.py

  thangckt

  committed
  0a77be5

  Copy full SHA for 0a77be5

• u

  thangckt

  committed
  ea85559

  Copy full SHA for ea85559

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 9dbcbd8
  pre-commit-ci[bot]

  committed
  9dbcbd8

  Copy full SHA for 9dbcbd8

• Update test_ase_traj.py

  thangckt

  committed
  0b27552

  Copy full SHA for 0b27552

• Merge branch 'tha_devel' of https://github.com/thangckt/dpdata into tha_devel

  thangckt

  committed
  c09894b

  Copy full SHA for c09894b

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 67e7876
  pre-commit-ci[bot]

  committed
  67e7876

  Copy full SHA for 67e7876

• up

  thangckt

  committed
  2afdc4f

  Copy full SHA for 2afdc4f

• u

  thangckt

  committed
  8771f8c

  Copy full SHA for 8771f8c

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for fe5163a
  pre-commit-ci[bot]

  committed
  fe5163a

  Copy full SHA for fe5163a

• Update test_ase_traj.py

  thangckt

  committed
  d41573b

  Copy full SHA for d41573b

• Merge branch 'tha_devel' of https://github.com/thangckt/dpdata into tha_devel

  thangckt

  committed
  17fcb16

  Copy full SHA for 17fcb16

• u

  thangckt

  committed
  e05c9ce

  Copy full SHA for e05c9ce

• Update ase.py

  thangckt

  committed
  95939bd

  Copy full SHA for 95939bd

• Update ase.py

  thangckt

  committed
  52ef114

  Copy full SHA for 52ef114

• Update ase.py

  thangckt

  committed
  60212f6

  Copy full SHA for 60212f6

• Update test_ase_traj.py

  thangckt

  committed
  57d938e

  Copy full SHA for 57d938e

• Update test_ase_traj.py

  thangckt

  committed
  3c95376

  Copy full SHA for 3c95376

Commits on Mar 15, 2024

• Update ase.py

  thangckt

  committed
  c3c45ef

  Copy full SHA for c3c45ef

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 46171fc
  pre-commit-ci[bot]

  committed
  46171fc

  Copy full SHA for 46171fc

• Update test_ase_traj.py

  thangckt

  committed
  1efef9b

  Copy full SHA for 1efef9b

• Merge branch 'tha_devel' of https://github.com/thangckt/dpdata into tha_devel

  thangckt

  committed
  b669ae1

  Copy full SHA for b669ae1

• Update ase.py

  thangckt

  committed
  33c5084

  Copy full SHA for 33c5084

• u

  thangckt

  authored
  790d4b5

  Copy full SHA for 790d4b5

• u

  thangckt

  authored
  f0c5c7d

  Copy full SHA for f0c5c7d

• u

  thangckt

  authored
  551920e

  Copy full SHA for 551920e

• u

  thangckt

  committed
  d7c98f9

  Copy full SHA for d7c98f9

• u

  thangckt

  committed
  e0b53f7

  Copy full SHA for e0b53f7

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 81f402a
  pre-commit-ci[bot]

  committed
  81f402a

  Copy full SHA for 81f402a

• u

  thangckt

  committed
  9248833

  Copy full SHA for 9248833

Commits on Mar 16, 2024

• u

  thangckt

  authored
  8f4684d

  Copy full SHA for 8f4684d

• u

  thangckt

  committed
  eb66571

  Copy full SHA for eb66571

• Update test_ase_traj.py

  thangckt

  committed
  9893423

  Copy full SHA for 9893423

Commits on Mar 17, 2024

• u

  thangckt

  committed
  77e8ef4

  Copy full SHA for 77e8ef4

Commits on Mar 18, 2024

• u

  thangckt

  committed
  02b4dac

  Copy full SHA for 02b4dac

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for 45c8018
  pre-commit-ci[bot]

  committed
  45c8018

  Copy full SHA for 45c8018

• Update ase.py

  thangckt

  committed
  71d0e70

  Copy full SHA for 71d0e70

Commits on Mar 19, 2024

• add a test for unlabeled system

  Show description for e3909e7
  njzjz

  authored
  e3909e7

  Copy full SHA for e3909e7

• [pre-commit.ci] auto fixes from pre-commit.com hooks

  Show description for b49a4e2
  pre-commit-ci[bot]

  committed
  b49a4e2

  Copy full SHA for b49a4e2