CHANGELOG.md

Changelog

1.8.0 (2025-04-29)

Features

• add support for custom kpoint (520619e)

1.7.1 (2025-04-19)

Bug Fixes

• change parse_orbital location and fix (6b64ab6)

1.7.0 (2025-04-19)

Features

• add parallel dptb submission support (ac814fa)

1.6.0 (2025-04-18)

Features

• add eta metric for band distance (799b616)

1.5.0 (2025-04-18)

Features

• change the way to check failed jobs and add rescue function (7529381)

1.4.0 (2025-04-16)

Features

• publish pypi (6917671)

1.3.0 (2025-04-16)

Features

• test publish pypi (36cae0a)

1.2.0 (2025-04-16)

Features

• publish on pypi (503b4da)

1.1.0 (2025-04-16)

Features

• test publish on pypi (06972fa)

1.0.0 (2025-04-16)

Features

• add band calculation example with abacus test (8bffe73)
• add post analysis module (0a0f244)
• add simple remote scf example (46abdc9)

Bug Fixes

• add direct id name check (cac3d27)
• add strict match patter test (1d1c5b9)
• correct the MKL_NUM_THREADS env variable (9694332)