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fix testing ccread call
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amandadumi committed May 3, 2024
1 parent d5d131e commit 367d9bd
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2 changes: 1 addition & 1 deletion .github/workflows/test_and_package.yml
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Expand Up @@ -130,4 +130,4 @@ jobs:
run: |
cd ~
python -c 'import cclib; print(cclib.__version__)'
python -c 'from cclib.io import ccread; data = ccread("https://raw.githubusercontent.com/amandadumi/cclib/master/data/Gaussian/basicGaussian16/dvb_sp.out"); print(data._parsed_data[0].scfenergies)'
python -c 'from cclib.io import ccread; data = ccread("https://raw.githubusercontent.com/amandadumi/cclib/master/data/Gaussian/basicGaussian16/dvb_sp.out"); print(data[0].scfenergies)'

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