Commits

Commits on Apr 10, 2024

merge devel to master (v0.12.1) (#1507 )
njzjz
committedApr 10, 2024

Commits on Apr 9, 2024

[pre-commit.ci] pre-commit autoupdate (#1504 )
pre-commit-ci[bot]
committedApr 9, 2024

Commits on Apr 3, 2024

[pre-commit.ci] pre-commit autoupdate (#1499 )
pre-commit-ci[bot]
committedApr 3, 2024

Commits on Mar 25, 2024

[pre-commit.ci] pre-commit autoupdate (#1495 )
pre-commit-ci[bot]
committedMar 25, 2024
CI: Bump codecov/codecov-action from v3 to v4 (#1491 )

njzjz-bot
and
njzjz
committedMar 25, 2024
CI: Setup Dependabot for GitHub Actions (#1492 )

njzjz-bot
and
njzjz
committedMar 25, 2024

Commits on Mar 20, 2024

[pre-commit.ci] pre-commit autoupdate (#1486 )
pre-commit-ci[bot]
committedMar 20, 2024

Commits on Mar 17, 2024

docs: add the link for how to setup the conda environment (#1484 )
njzjz
committedMar 17, 2024

Commits on Mar 13, 2024

[pre-commit.ci] pre-commit autoupdate (#1483 )
pre-commit-ci[bot]
committedMar 13, 2024

Commits on Mar 12, 2024

docs: fix author name (#1480 )
njzjz
committedMar 12, 2024

Commits on Mar 6, 2024

issue1475: a small bug of iterdict (generator/lib/cp2k.py) (#1476 )

yohsama
and
pre-commit-ci[bot]
committedMar 6, 2024

Commits on Mar 3, 2024

keep original model_devi.out files for pimd (#1472 )
Yi-FanLi
committedMar 3, 2024

Commits on Mar 1, 2024

Bugfix for pimd: sorting model_devi files (#1470 )

committedMar 1, 2024

Commits on Feb 29, 2024

[pre-commit.ci] pre-commit autoupdate (#1465 )

pre-commit-ci[bot]
and
njzjz
committedFeb 29, 2024
Fix UTs destroyed by pymatgen's update (#1471 )
Yi-FanLi
committedFeb 29, 2024

Commits on Jan 24, 2024

[pre-commit.ci] pre-commit autoupdate (#1458 )
pre-commit-ci[bot]
committedJan 24, 2024

Commits on Jan 17, 2024

[pre-commit.ci] pre-commit autoupdate (#1453 )
pre-commit-ci[bot]
committedJan 17, 2024

Commits on Jan 9, 2024

[pre-commit.ci] pre-commit autoupdate (#1447 )
pre-commit-ci[bot]
committedJan 9, 2024

Commits on Dec 25, 2023

[pre-commit.ci] pre-commit autoupdate (#1436 )
pre-commit-ci[bot]
committedDec 25, 2023

Commits on Dec 21, 2023

[pre-commit.ci] pre-commit autoupdate (#1430 )
pre-commit-ci[bot]
committedDec 21, 2023

Commits on Dec 12, 2023

[pre-commit.ci] pre-commit autoupdate (#1424 )
pre-commit-ci[bot]
committedDec 12, 2023

Commits on Dec 11, 2023

support collecting MultiSystems (#1422 )

njzjz
and
pre-commit-ci[bot]
committedDec 11, 2023

Commits on Dec 8, 2023

only log the current iteration when restarting (#1420 )
njzjz
committedDec 8, 2023

Commits on Nov 28, 2023

dpgen simplify: add document for fp style pwscf (#1413 )
Yi-FanLi
committedNov 28, 2023

Commits on Nov 21, 2023

model devi: download LAMMPS log files for pimd (#1406 )

Yi-FanLi
and
pre-commit-ci[bot]
committedNov 21, 2023
[pre-commit.ci] pre-commit autoupdate (#1407 )
pre-commit-ci[bot]
committedNov 21, 2023

Commits on Nov 20, 2023

fp: add document and example for Quantum Espresso (#1405 )

committedNov 20, 2023

Commits on Nov 14, 2023

[pre-commit.ci] pre-commit autoupdate (#1401 )
pre-commit-ci[bot]
committedNov 14, 2023

Commits on Nov 10, 2023

pwscf: write floaing point number for atomic masses (#1387 )

Yi-FanLi
and
pre-commit-ci[bot]
committedNov 10, 2023
breaking: use shlex.quote to quote shell commands (#1396 )
njzjz
committedNov 10, 2023

Commits on Nov 7, 2023

[pre-commit.ci] pre-commit autoupdate (#1394 )
pre-commit-ci[bot]
committedNov 7, 2023
throw error if training_iter0_model_path is not found (#1391 )

njzjz
and
pre-commit-ci[bot]
committedNov 7, 2023
docs: add links to external documentation (#1392 )
njzjz
committedNov 7, 2023

Commits on Nov 3, 2023

tests: add UT for run_model_devi (#1386 )

njzjz
and
pre-commit-ci[bot]
committedNov 3, 2023
exclude docs and tests from sdist (#1385 )
njzjz
committedNov 3, 2023