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First tutorial #5

Merged
merged 9 commits into from
Jun 27, 2024
Merged

First tutorial #5

merged 9 commits into from
Jun 27, 2024

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MBartkowiakSTFC
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This is the first tutorial for the new MDANSE version.

The PR includes some basic cleaning up of the repository, moving test files around.

Is the structure of the tutorial good?
Is the level of detail sufficient?
Finally, is there anything in the text that is just wrong?

Comment: we may need also a tutorial 0: installing MDANSE.

## Background

Most of the commonly taught thermodynamics and mechanical
statistics deals with equilibrium processes. That is,
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statistical mechanics?

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I knew this paragraph looked strange.

@ChiCheng45
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ChiCheng45 commented Jun 27, 2024

I've been going through the tutorial and everything seems to work and I think the content is great for the first tutorial.

I just had a thought that we should probably create a GitHub action and get it to pull and build the latest MDANSE and run those scripts and check the file exists etc. That will ensure the tutorial and MDANSE keeps working. We can make the action run nightly or something. I've created #6 for this suggestion.

will be significantly different to the other points. This
is to be expected, since interpolation will not be accurate
when there are no values to interpolate between on one side
of the data point.
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@ChiCheng45 ChiCheng45 Jun 27, 2024

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This is to be expected since interpolation will not be accurate when values are only available on one side of its data point.

(change above - should be a bit clearer I think)

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See comments.

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Thanks for the changes, looks good!

@ChiCheng45 ChiCheng45 merged commit f3e0978 into main Jun 27, 2024
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2 participants