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grimme-lab / mctc-lib

Modular computation tool chain library
https://grimme-lab.github.io/mctc-lib
Apache License 2.0
15 stars 17 forks source link

Add fix for reading poscar reading #64

Closed awvwgk closed 2 months ago

awvwgk commented 2 months ago

Closes #60 Closes https://github.com/dftd4/dftd4/issues/207

codecov[bot] commented 2 months ago

Codecov Report

Attention: Patch coverage is 58.33333% with 10 lines in your changes missing coverage. Please review.

Project coverage is 69.78%. Comparing base (77f65c6) to head (6ff2c52). Report is 1 commits behind head on main.

Files Patch % Lines
test/test_read_vasp.f90 66.66% 0 Missing and 7 partials :warning:
src/mctc/io/read/vasp.f90 0.00% 0 Missing and 3 partials :warning:
Additional details and impacted files ```diff @@ Coverage Diff @@ ## main #64 +/- ## ========================================== - Coverage 69.79% 69.78% -0.01% ========================================== Files 64 64 Lines 8618 8639 +21 Branches 2579 2586 +7 ========================================== + Hits 6015 6029 +14 - Misses 782 783 +1 - Partials 1821 1827 +6 ```

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