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@awvwgk awvwgk commented Aug 2, 2025

  • all JSON formats are available with json extension, the read_json procedure dispatches to the format specific readers based on the schema information in the JSON file
  • update README to list all formats supported in mctc-lib

@awvwgk awvwgk added the enhancement New feature or request label Aug 2, 2025
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codecov bot commented Aug 2, 2025

Codecov Report

❌ Patch coverage is 76.34961% with 92 lines in your changes missing coverage. Please review.
✅ Project coverage is 72.46%. Comparing base (69bda51) to head (6f75b76).
⚠️ Report is 1 commits behind head on main.

Files with missing lines Patch % Lines
test/test_read_json.f90 81.08% 0 Missing and 63 partials ⚠️
src/mctc/io/read/json.F90 37.50% 5 Missing and 10 partials ⚠️
src/mctc/io/read/cjson.F90 55.55% 0 Missing and 4 partials ⚠️
src/mctc/io/read/pymatgen.F90 42.85% 0 Missing and 4 partials ⚠️
src/mctc/io/read/qcschema.F90 71.42% 0 Missing and 4 partials ⚠️
src/mctc/io/filetype.f90 0.00% 0 Missing and 1 partial ⚠️
src/mctc/io/read.f90 0.00% 0 Missing and 1 partial ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##             main      #96      +/-   ##
==========================================
+ Coverage   72.37%   72.46%   +0.08%     
==========================================
  Files          84       86       +2     
  Lines       12574    12943     +369     
  Branches     3692     3783      +91     
==========================================
+ Hits         9101     9379     +278     
- Misses        767      776       +9     
- Partials     2706     2788      +82     

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@awvwgk awvwgk merged commit f159ff0 into grimme-lab:main Aug 2, 2025
11 checks passed
@awvwgk awvwgk deleted the general-json branch August 2, 2025 14:51
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