v2.0.0

What's Changed

• Mergev2 merge data nequip refactoring into main by @floatingCatty in #61
• pend run import, need to recover its function later by @floatingCatty in #63
• update carbon_hybrid model by @floatingCatty in #65
• Update README.md by @shishirkrpandey in #68
• Update docs for DeePTb v2.0 by @SharpLonde in #67
• Files fixed for various examples. by @SharpLonde in #69
• update dockerfile and toml file by @QG-phy in #71
• Dockerfile by @QG-phy in #73
• Dockerfile by @QG-phy in #74
• Dockerfile by @QG-phy in #75
• add fixed length on iter checkpoint by @floatingCatty in #76
• fix to align the checkpoint output index with the log output index by @floatingCatty in #77
• update unittest by @QG-phy in #78
• move 60 files update the data for test; move it to v1 by @QG-phy in #81
• Update dptb config command and its unit test by @QG-phy in #79
• add unit test for dptb bond command by @QG-phy in #82
• add unit test for train cmd by @QG-phy in #83
• Checkpoint files for examples by @SharpLonde in #84
• Merge changes during the E3 Hamiltonian model development into main by @floatingCatty in #85
• Test trainer by @QG-phy in #86
• add unit test and update some minor part by @QG-phy in #88
• add tests by @QG-phy in #89
• CI: Setup Dependabot for GitHub Actions by @njzjz-bot in #92
• add test by @QG-phy in #91
• Update unit_test.yml by @QG-phy in #98
• Bump actions/checkout from 3 to 4 by @dependabot in #95
• Update devcontainer.yml by @QG-phy in #99
• Bump docker/setup-buildx-action from 2 to 3 by @dependabot in #94
• Update unit_test.yml by @QG-phy in #100
• updata push option and saver by @QG-phy in #101
• Refactoring TBPLaS api to match the current code version by @floatingCatty in #102
• From v1json by @QG-phy in #103
• Bump docker/build-push-action from 4 to 5 by @dependabot in #96
• add parse and split options in data, and loss analysis by @floatingCatty in #90
• From v1json and To json and fix the support for NRL json by @QG-phy in #104
• refactor build api in data and nn by @floatingCatty in #106
• Loss analysis viz, debug tbplas api and support compute eigenvalues nk point each time by @floatingCatty in #111
• update dargs version by @QG-phy in #108
• update inputs for examples by @SharpLonde in #109
• Add run command by @QG-phy in #112
• Fix silicon by @floatingCatty in #113
• PR: Add support for SOC in the SKTB formula. by @QG-phy in #107
• Si demo by @QG-phy in #114
• CI: Mirror the repository to Gitee by @njzjz-bot in #117
• update DPTB to NNENV by @QG-phy in #115
• Create input_tags.md by @QG-phy in #118
• Update input_tags.rst by @QG-phy in #119
• Darg doc by @QG-phy in #120
• Darg doc by @QG-phy in #121
• Update dptb data by @SharpLonde in #116
• update doc and Sn soc example by @QG-phy in #122
• dev2main ready for release. by @QG-phy in #123
• Dev by @QG-phy in #125

New Contributors

• @shishirkrpandey made their first contribution in #68
• @SharpLonde made their first contribution in #67
• @njzjz-bot made their first contribution in #92
• @dependabot made their first contribution in #95

Full Changelog: v1.1.0...v2.0.0