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### Steps to reproduce the issue
```console
[csbcfmpd@login209-18 Simulation]$ spack spec -I cuda@11.8
Input spec
--------------------------------
- cuda@11.8
Concretized
-----------------…
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# Upcoming development items
This issue is for **summarising the next couple of steps in the development** for providing all fine-grained functionalities required by a complete integration into the…
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document how to run MPI across multiple nodes inside containers
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Is it also possible to get the B and E field informations instead of just the envelope out of a laser instance?
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**Is your feature request related to a problem? Please describe.**
This feature request is related to the issue that lead to #52 . When there is an issue on the skill invocation / skill deployment …
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what is the PDB file format in oddt(RSC PDB, charmm PDB)?
I want to calculate interactions (salt bridge, hydrogen bonds, etc ) between a protein and a short peptide which obtained from MD simulation…
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To make this usable, it would be best to have a working reference implementation to read and write molecular JSON files according the spec as it evolves.
I will almost certainly maintain a implementa…
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In some simulations, the enrichment/fuel fabrication facilities have a given efficiency or percent of material lost during the enrichment/fabrication process. The change in mass of material needed due…
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I came across an error when running `generate_data_param.py`, and the `scp` files used in the `simulation_train.yaml` are presented as below:
```
speech_scps:
- /data/tmp/dns5_clean_read_speech_res…
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### Package Details
* Package Name/Version: **gnuradio/3.8**
* Website: **https://www.gnuradio.org/**
* Source code: **https://github.com/gnuradio/gnuradio/**
### Description Of The Libr…