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Quantum water heat capacity recipe #76

Merged
merged 28 commits into from
Sep 21, 2024
Merged

Quantum water heat capacity recipe #76

merged 28 commits into from
Sep 21, 2024

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frostedoyster
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Tutorial on how to calculate water quantum heat capacity with PIMD. Simulation details will be similar to the path-integrals recipe

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github-actions bot commented Sep 18, 2024

Here is the build version of the cookbook in this pull request: documentation.zip, you can view it locally by unzipping documentation.zip and open the index.html with your favorite browser.

@frostedoyster frostedoyster force-pushed the heat-capacity branch 3 times, most recently from b4a0fd1 to 77217ba Compare September 20, 2024 19:19
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@ceriottm ceriottm left a comment

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Did all the changes I had to do. Ready to be merged, we'll have to update the environment once the clean-up PR for i-pi gets merged.

@ceriottm ceriottm merged commit 947234c into main Sep 21, 2024
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@ceriottm ceriottm deleted the heat-capacity branch September 21, 2024 23:27
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3 participants