deepmodeling / dpdata

A Python package for manipulating atomistic data of software in computational science
https://docs.deepmodeling.com/projects/dpdata/
GNU Lesser General Public License v3.0
195 stars 129 forks source link

merge devel to master #535

Closed njzjz closed 1 year ago

codecov[bot] commented 1 year ago

Codecov Report

Patch coverage: 88.84% and project coverage change: +0.20% :tada:

Comparison is base (85a3b5e) 82.76% compared to head (ec7985b) 82.97%.

Additional details and impacted files ```diff @@ Coverage Diff @@ ## master #535 +/- ## ========================================== + Coverage 82.76% 82.97% +0.20% ========================================== Files 70 73 +3 Lines 6313 6490 +177 ========================================== + Hits 5225 5385 +160 - Misses 1088 1105 +17 ``` | [Files Changed](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | Coverage Δ | | |---|---|---| | [dpdata/cp2k/cell.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2NwMmsvY2VsbC5weQ==) | `80.76% <ø> (ø)` | | | [dpdata/driver.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RyaXZlci5weQ==) | `84.37% <ø> (ø)` | | | [dpdata/md/rdf.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL21kL3JkZi5weQ==) | `0.00% <0.00%> (ø)` | | | [dpdata/xyz/quip\_gap\_xyz.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3h5ei9xdWlwX2dhcF94eXoucHk=) | `93.16% <ø> (ø)` | | | [dpdata/plugins/deepmd.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3BsdWdpbnMvZGVlcG1kLnB5) | `66.40% <50.00%> (-1.08%)` | :arrow_down: | | [dpdata/deepmd/hdf5.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RlZXBtZC9oZGY1LnB5) | `83.00% <71.42%> (-3.08%)` | :arrow_down: | | [dpdata/system.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL3N5c3RlbS5weQ==) | `85.65% <82.35%> (-0.05%)` | :arrow_down: | | [dpdata/deepmd/raw.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RlZXBtZC9yYXcucHk=) | `91.57% <82.60%> (-2.87%)` | :arrow_down: | | [dpdata/deepmd/comp.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RlZXBtZC9jb21wLnB5) | `94.92% <87.50%> (-2.25%)` | :arrow_down: | | [dpdata/data\_type.py](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling#diff-ZHBkYXRhL2RhdGFfdHlwZS5weQ==) | `89.23% <89.23%> (ø)` | | | ... and [10 more](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling) | | ... and [1 file with indirect coverage changes](https://app.codecov.io/gh/deepmodeling/dpdata/pull/535/indirect-changes?src=pr&el=tree-more&utm_medium=referral&utm_source=github&utm_content=comment&utm_campaign=pr+comments&utm_term=deepmodeling)

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