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lines changed Original file line number Diff line number Diff line change @@ -5,19 +5,18 @@ Goal: Provide tools that make it easy to manage and store QWalk runs.
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# Getting started.
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- Run ` setup.py ` to fill in the locations of packages you may want to use with autogen, such as Crystal or PySCF.
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- - without this step autogen will not be able to run any executibles.
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+ Copy paths_example.yaml to paths.yaml and edit for your locations.
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+ Run ` setup.py `
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Check out the intro folder, which constains a set of jupyter notebooks to help you understand how this package works.
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Alternative python scripts (which are just python downloads of the notebooks) are also there.
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- Working through all the notebooks should only take ~ 10 minutes.
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You can also checkout ` tests/simple_test.py ` for a more useful template to build scripts from.
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# Troubleshooting
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- - autogen can't find an executible .
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+ - autogen can't find an executable .
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- Make sure you've run ` setup.py ` .
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- The notebooks keep saying 'file not found'?
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- If you have any error when running the notebook, try restarting the kernel.
You can’t perform that action at this time.
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