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hjjvandam avatar hjjvandam commented on September 27, 2024

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twindus avatar twindus commented on September 27, 2024

I agree that SDE is kind of generic, but isn't that sort of the idea? The one thing I don't like about CMSDE is that it is perhaps to specific. What about biological systems? If we were to change the name, I think ASDE or ASDF would be better since it says more about the scale of the simulations instead of the science that you can do with it.

Do you want to see a magic trick?

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

@hjjvandam and @twindus keeping it generic is certainly advisable. In fact, ignoring the actual property types (which probably don't belong in this repo anyways) there's nothing in SDE that actually ties it to chemistry. In fact I've been contemplating switching the dependency order of LibChemist and SDE (as it stands SDE depends on LibChemist). If we make LibChemist depend on SDE this opens up the possibility for including modules in LibChemist, say for wrapping the various algorithms for partitioning a system. This also would suggest moving the default data up into LibChemist (again; that's where it used to be anyways...). I'd vote against ASDF given that it'll be hard to search for (unless we can become more popular than the meme. On that note SDE (particularly SDE chemistry) really doesn't return much in terms of searches.

@twindus yes I want to see a magic trick (I'm guessing I'm missing a reference to something).

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keipertk avatar keipertk commented on September 27, 2024

I'm sure some of the confusion can be attributed to the way I presented the SDE - but I think it would be beneficial in the long run to change the name. Ideally we can choose something before the CISE review period so we can publish using the new name.

t should definitely include "Framework" imo. That's really what the SDE is.
My favorite term for covering the scope of applications without being too specific is "molecular science" from MolSSI.

MSF Molecular Simulation Framework
MSF Molecular Software Framework
MSDF '' '' Development Framework
MSSF Molecular Science Software Framework (probably too close to MolSSI)
MSSF Molecular Simulation Software Framework

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

@keipertk IMHO MSF is too close to MS/MSFT, uber common abbreviations in computer science for some reason....

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keipertk avatar keipertk commented on September 27, 2024

That's fair. Interestingly when I google "MSF", most of the results are about Doctors without Borders...

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twindus avatar twindus commented on September 27, 2024

@ryanmrichard It is a reference to one of the videos that @hjjvandam posted.

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wadejong avatar wadejong commented on September 27, 2024

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

As a reminder, we agreed to vote on whether or not we're going to change the name of the SDE by today. As a convenience, I've collected the choices into one post:

@hjjvandam suggested:

  • CMSDE: Chemistry and Material Simulation Development Environment
  • ASDE: Atomistic Simulation Development Environment
  • ASDF: Atomistic Simulation Development Framework

@keipertk suggested:

  • MSF Molecular Simulation Framework
  • MSF Molecular Software Framework
  • MSDF Molecular Software Development Framework
  • MSSF Molecular Science Software Framework
  • MSSF Molecular Simulation Software Framework

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

@Straatsma suggested:

  • MDE model development environment

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hjjvandam avatar hjjvandam commented on September 27, 2024

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

This is a website that will generate acronyms given a set of words.
This will allow you to specify the beginning/end of a word.
This is a list of cool words

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ryanmrichard avatar ryanmrichard commented on September 27, 2024

For just cool words I like:

  • Coffer (actually kinda fits with the modular/black-box nature of the library)
    • Coffer software only returns a relatively small GitHub project that I bet we could overtake..

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wadejong avatar wadejong commented on September 27, 2024

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