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+ #509

Closed ruio248 closed 12 months ago

codecov[bot] commented 12 months ago

Codecov Report

Patch coverage: 24.07% and project coverage change: -0.50% :warning:

Comparison is base (85a3b5e) 82.76% compared to head (f174f71) 82.26%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #509 +/- ## ========================================== - Coverage 82.76% 82.26% -0.50% ========================================== Files 70 72 +2 Lines 6313 6367 +54 ========================================== + Hits 5225 5238 +13 - Misses 1088 1129 +41 ``` | [Files Changed](https://app.codecov.io/gh/deepmodeling/dpdata/pull/509?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpdata/dftb\_plus/inout.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/509?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RmdGJfcGx1cy9pbm91dC5weQ==) | `7.50% <7.50%> (ø)` | | | [dpdata/plugins/dftb\_plus.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/509?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3BsdWdpbnMvZGZ0Yl9wbHVzLnB5) | `71.42% <71.42%> (ø)` | |

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