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[INFO ] Running calculations on normal system...
[INFO ] Beginning PB calculations with /cvmfs/soft.computecanada.ca/easybuild/software/2020/avx2/MPI/gcc9/openmpi4/ambertools/21/bin/sander
[INFO…
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This Issue is to detail the specific features that need to be implemented for the subclass reworks for 5.0.0 dicussed in #108.
Describe any feats/abilities and what level it should appear in the prog…
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### Bug summary
Failed to parse results to output files
### Terminal output
```bash
"[INFO ] Cleaning normal complex trajectories...
[INFO ] Building AMBER topologies from GROMACS files... Don…
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When debugging `tests/li_solv` I noticed that no information about the `Environment` is printed to the stdout output file, so it is impossible to deduce that the calculation is performed in an implici…
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Hello,
When I run the jupyter notebook example for [phases diagrams](https://vlachosgroup.github.io/pMuTT/examples_jupyter/examples.html#phase-diagram) the script crushes at the last step, when it …
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hi, I tried grabbing tv guide from the UK folder tv24.co.uk but the time is not right on my player ott navigator.. need to change the TZ to `-2h 00m` to get it right.. is there a way to not need that …
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Hi,
We added some new config types to one of the databases we're using to train a CH potential, and this triggered NaNs appearing in the alphas. As far as I can tell this is completely random and e…
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The following minimal test case shows an example of a `System` that is able to create a `Context` without problem for the `CPU` and `Reference` platforms, but hangs for `OpenCL`:
[minimal.zip](https:…
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**Is your feature request related to a problem? Please describe.**
Set some code linter and checkstyles for the repository.
Every PR sees a bunch of whitespace, indentation etc comments instead an a…
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In #5787 a small code based on pycalphad was added to MOOSE. This code allows exporting free energy expressions from TDB files for use in MOOSE. CALPHAD uses the concept of _sublattice compositions_, …