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In the current master branch 42 files are not formatted correctly.
For earlier discussions see [here](https://github.com/cp2k/cp2k/pull/636#issuecomment-555996021) and [here](https://github.com/cp2…
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Dear All,
I am running a titration simulation using MARTINI-type model. I have a couple of questions:
1) How to implement explicitly the interaction if I don't want to use lorentz_berthelot mixi…
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I noted that a similar question has been asked by others before, but there is no good answer found yet:
I have been doing a comparison on the performances and resource demands of CCSD various softw…
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multipole gravity was implemented primarily to allow for Dirchlet BCs for an isolated mass distribution with the MG solve. This simplified the construction. We should extend multipole to the interio…
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I can not get a copy-paste example from the manual to compile (1st on p. 91).
```latex
\documentclass{scrartcl}
\usepackage{circuitikz}
\begin{document}
\begin{circuitikz}
\ctikzset{…
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It seems that a few items are outdated.
For example, following #113 and based on a few tests, it seems that thick tracking in quadrupoles is now the default.
The following, in `elements.tex` cou…
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Running wdmerger when compiled with CUDA on Summit shows non-determinism. If executed with
```
jsrun -n 1 -a 1 -c 1 -g 1 ./Castro3d.pgi.MPI.CUDA.ex inputs_collision amr.plot_files_output=1 amr.plot_…
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Hi all,
I am still validating if my approach makes sense but currently I do have use-cases when I need to have multiple rootable entities and entity with rootable and non-rootable roles at the same…
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We're preparing to order another batch of Urukuls. There are a few minor annoyances I'd like to resolve before those go to production (e.g https://github.com/sinara-hw/Urukul/issues/42). None of them …
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When compiled using MPI + OpenMP with either PGI or GNU, wdmerger's results depend on the number of OpenMP threads and are non-deterministic in the multi-threading case. (This is also seen with CUDA.)…