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This is part of the [JOSS Review](https://github.com/openjournals/joss-reviews/issues/1612). The following consists of several comments on the paper aspect of the JOSS submission and does not reflect …
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### Descriptive summary
Review transformation output from CIL harvest process and update mapping/script.
[Processing & mapping instructions](https://docs.google.com/spreadsheets/d/1NnYw3bgNraJ9hZC…
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Just going through the files and folders, here are my thoughts:
Source/Base/CreateOnAwake
- i don't get the use case of this classes. Can you make an example?
Sources/GameFunctions
- i don't g…
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## Bug Report
**What did you do?**
Create a simple operator:
- minikube delete
- minikube start
- eval $(minikube docker-env)
- cd $GOTPATH/src
- operator-sdk new sample-operator
- cd sam…
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Vibrations for linear molecules are not currently parsed correctly for ORCA (and I believe other programs). Furthermore, there are currently tests that check if there are `3*N - 6` modes; in linear mo…
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@arouinfar and I have both noticed that load times for phettest sims have been very slow. The load bar does not seem to progress until the sim has almost entirely loaded as well. Times can last up t…
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As we discussed last week, I will be implementing the ability to specify which field to pull with a `get_data` function call. We mentioned a flag, which I call `do_stoich` to determine whether the agg…
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I'm trying to use Psi4 in a `jupyter notebook` and getting an immediate crash. I didn't see anything in documentation or issues about running inside a notebook, so I'm not sure if this is supported be…
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In order to get them on galaxy and use them in more complicated multi-server setups, we need to break out our internal roles into their own github repositories in the Islandora-Devops organization.
…
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I promised an example where the Acemd minimizer succeeds yet the OpenMM minimizer won't.
After minimization, the system won't simulate in neither software (probably due to clashing atoms). In Acemd…