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At least, perhaps we should avoid doing so - if it is needed in > 1 `command_line` then it should be under the source tree somewhere else
```
Grey-Area dials :) [main] $ git grep command_line src…
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I patched the production collection to include an `nkpts` field in each document, which is expected for the "# of K-points" cell of the "Structure Optimization" subsection of the "Calculation Summary"…
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Dear team member of Professor Mark Fiecas,
Your Longitudinal Model and Variance Components Model really impressed me much. As you said in article, temporal autocorrelation inherent and heterogeneity …
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I downloaded the Eigen AVX2 version KataGo ,KataGo is banned by anti-virus software and is considered ransomware. What should I do?
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Some operations, such as broadening by convolution, are not strictly correct when applied to data with uneven bin widths (irregularly sampled data). We should ensure these are handled sensibly.
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You do not need to put in anything here :)
Just open the issue by clicing the green "Submit new issue" and within 10-15s a message instructing you do upload your files should appear!
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I have some trouble solving a moderately large numerically unsymmetric, structurally system without mpirun on OS X. The solve is part of an iterative procedure which works fine most of the time but fa…
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Issue overview
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Assessing the annual HVAC heating and (total) cooling consumption (using the ideal loads air system object) for different building orientations, covering the 360º-span,…
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### Python version
Python3.9.19
### Pymatgen version
2024.8.9
### Operating system version
Linux: miniconda
### Current behavior
In the conda env, pip install pymatgen, no "_init_.py" file
###…
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# The following commands are needed:
## Create a new virtual environment / venv does not work use virtualenv
`virtualenv -p python3 feyn`
## Activate the virtual environment
`source feyn/bin/a…