DMET Demo - #1330
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👋 Hey, looks like you've updated some demos! 🐘 Don't forget to update the Please hide this comment once the field(s) are updated. Thanks! |
ddhawan11
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March 17, 2025 16:00
soranjh
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Mar 20, 2025
soranjh
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Mar 25, 2025
Co-authored-by: Soran Jahangiri <40344468+soranjh@users.noreply.github.com>
Co-authored-by: Soran Jahangiri <40344468+soranjh@users.noreply.github.com>
Co-authored-by: Soran Jahangiri <40344468+soranjh@users.noreply.github.com>
Co-authored-by: Soran Jahangiri <40344468+soranjh@users.noreply.github.com>
soranjh
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soranjh
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May 1, 2025 15:52
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ixfoduap
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Oct 29, 2025
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Please address my minor comments before merging
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
Co-authored-by: ixfoduap <40441298+ixfoduap@users.noreply.github.com>
soranjh
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Thanks @ddhawan11. I'm curious, was there a reason for not making this tutorial executable? Based on the requirements (things just needing to be pip installable), this looks very doable.
Co-authored-by: Josh Izaac <josh146@gmail.com>
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So Conclusion is also a section and not subsection of implementation
daniela-angulo
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Nov 25, 2025
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Before submitting
Please complete the following checklist when submitting a PR:
Ensure that your tutorial executes correctly, and conforms to the
guidelines specified in the README.
Remember to do a grammar check of the content you include.
All tutorials conform to
PEP8 standards.
To auto format files, simply
pip install black, and thenrun
black -l 100 path/to/file.py.When all the above are checked, delete everything above the dashed
line and fill in the pull request template.
Title:
Density Matrix Embedding Theory (DMET) Demo
Summary:
This demo outlines the basics of density matrix embedding theory, and provides instructions on how to execute the method.
Relevant references:
Possible Drawbacks:
Related GitHub Issues:
If you are writing a demonstration, please answer these questions to facilitate the marketing process.
GOALS — Why are we working on this now?
Eg. Promote a new PL feature or show a PL implementation of a recent paper.
AUDIENCE — Who is this for?
Eg. Chemistry researchers, PL educators, beginners in quantum computing.
KEYWORDS — What words should be included in the marketing post?
Which of the following types of documentation is most similar to your file?
(more details here)