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Create a top level directory for recipes on how to use cclib. These won't be tested so no dependencies will be introduced.
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I recently came across the parallel "Jumbo converters" in [ioChem-BD](https://docs.iochem-bd.org/en/latest/conversion-cml.html) for quantum chemistry code outputs to CML ([Java codebase](https://gitla…
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I haven't installed cclib and get an error message from the importer module. I think that Molara shouldn't depend so strictly on this module. Maybe add try/except blocks for the import statements?
@a…
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Hello! I have such error after ./cc_info.py -p /dev/cu.usbmodem1411
ERROR: Could not find CCLib_proxy device on port /dev/cu.usbmodem1411
I use Arduino UNO
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Gauging interest on including a PySCF -> cclib style bridge, so pyscf result data can be represented in the usual cclib data structures. Essentially a 'parser' but taking the pyscf object (the molecul…
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Build https://travis-ci.org/verifast/vfdeps-win/builds/562820769 fails here:
```
ocamlmklib -o api/ml/z3ml -I api/ml api/ml/z3native_stubs.o api/ml/z3enums.cmo api/ml/z3native.cmo api/ml/z3.cmo -cc…
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Putting CCLib under [GPL with classpath exception](http://openjdk.java.net/legal/gplv2+ce.html) would enable us to use source code from OpenJDK, without forcing JVML-JIT, or users of JVML-JIT to adopt…
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While trying to use goodvibes to parse the thermochemistry data from Gaussian output file for constrained geometry optimisation, the following error arises:
> Error output: [Gaussian TS_5coord_L2_s…
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Things that absolutely must be done by March 30th, which is when I tag `v2.0a1` on the `main` branch no matter what. That's because of promises for certain functionality that will be in the paper.
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Look at https://github.com/cclib/cclib/community, we might want to:
1. Add a code of conduct
2. Add contributing guidelines, which is essentially #555, but we might want to make sure GitHub is aware…