deepmodeling / dpdata

Manipulating multiple atomic simulation data formats, including DeePMD-kit, VASP, LAMMPS, ABACUS, etc.
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
191 stars 128 forks source link

new feature DFTB+ #511

Closed ruio248 closed 11 months ago

codecov[bot] commented 12 months ago

Codecov Report

Patch coverage: 100.00% and project coverage change: +0.17% :tada:

Comparison is base (47619b7) 82.77% compared to head (ff06388) 82.95%. Report is 1 commits behind head on devel.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #511 +/- ## ========================================== + Coverage 82.77% 82.95% +0.17% ========================================== Files 71 73 +2 Lines 6428 6493 +65 ========================================== + Hits 5321 5386 +65 Misses 1107 1107 ``` | [Files Changed](https://app.codecov.io/gh/deepmodeling/dpdata/pull/511?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpdata/dftbplus/output.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/511?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RmdGJwbHVzL291dHB1dC5weQ==) | `100.00% <100.00%> (ø)` | | | [dpdata/plugins/dftbplus.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/511?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3BsdWdpbnMvZGZ0YnBsdXMucHk=) | `100.00% <100.00%> (ø)` | |

:umbrella: View full report in Codecov by Sentry.
:loudspeaker: Have feedback on the report? Share it here.

ruio248 commented 11 months ago

Please provide doc for this format. The doc is provided in dpdata/plugins/dftbplus.py