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

fix: complete periodic table #656

Closed iProzd closed 4 months ago

iProzd commented 4 months ago

Summary by CodeRabbit

coderabbitai[bot] commented 4 months ago
Walkthrough ## Walkthrough The recent update to the `dpdata` package involves expanding the periodic table data by adding the latest recognized elements. The newly included elements are Rf, Db, Sg, Bh, Hs, Mt, Ds, Rg, Cn, Nh, Fl, Mc, Lv, Ts, and Og. This enhancement ensures the periodic table is up-to-date with the current scientific consensus, allowing users to access comprehensive and accurate chemical element information. ## Changes | File | Change Summary | |------|----------------| | `dpdata/periodic_table.py` | Added new elements Rf, Db, Sg, Bh, Hs, Mt, Ds, Rg, Cn, Nh, Fl, Mc, Lv, Ts, and Og to the periodic table. |

Recent Review Details **Configuration used: CodeRabbit UI** **Review profile: CHILL**
Commits Files that changed from the base of the PR and between 8b9fd0f0fefd04f484d7eaa1bf87a089e3b8c08a and b33ec5b101512d08f2495372147594d15b5ded55.
Files selected for processing (1) * dpdata/periodic_table.py (1 hunks)
Files skipped from review due to trivial changes (1) * dpdata/periodic_table.py
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codecov[bot] commented 4 months ago

Codecov Report

All modified and coverable lines are covered by tests :white_check_mark:

Project coverage is 83.63%. Comparing base (8b9fd0f) to head (b33ec5b).

Additional details and impacted files ```diff @@ Coverage Diff @@ ## devel #656 +/- ## ======================================= Coverage 83.63% 83.63% ======================================= Files 81 81 Lines 7009 7009 ======================================= Hits 5862 5862 Misses 1147 1147 ```

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