MinimizationReporter example

openmm / openmm-cookbook

The OpenMM Cookbook and Tutorials

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MinimizationReporter example #34

Closed sef43 closed 6 months ago

sef43 commented 8 months ago

This adds an example for using the new MinimizationReporter in OpenMM 8.1: https://github.com/openmm/openmm/pull/4207

[x] It cannot be merged until after the 8.1 release

peastman commented 6 months ago

Looks good. Is it ready to merge? I notice that none of the cells have been run so no output is shown.

sef43 commented 6 months ago

The cookbook notebooks all get run by the website building workflow, they are then rendered on the webpage with the output generated during the github worlfow.

peastman commented 6 months ago

Thanks!

peastman commented 6 months ago

It still isn't showing up on the website...

sef43 commented 6 months ago

Its on the /dev page: https://openmm.github.io/openmm-cookbook/dev/notebooks/cookbook/report_minimization.html We need to make a release on github then the current main branch will be rendered on the latest stable webpage: https://openmm.github.io/openmm-cookbook/latest/cookbook.html