WP1 Main Page Reorganization
The main page for the WP1 modules is, in my opinion, failing to meet our current needs (yes, that's a euphemism for "terrible"). Early on, most of our modules were focused on path sampling. I was asked to write an overview of path sampling for that page, so I did (this goes all the way back to the old websites, where each WP was a separate site).
But as it stands now, I don't think the website is at all a good representation of what we're doing in WP1. It is way too focused on OPS, especially now that the other PDRAs are contributing things related to their own work. Honestly, when I've sent people to see examples of what a module is, the page was a bit of an embarrassment ("so scroll to the very bottom, and you'll see modules developed at the ESDWs. Above that, you'll see other, non-ESDW modules.")
I think there are two questions to address here: the scientific topics for WP1, and the specific modules we've developed. Let me summarize how I see the organization of the current page, and my suggestions:
Introduction: General information repeated elsewhere on the site. Should be removed or turned into a link. (Ideally, replaced with a broad overview of the many areas in Classical MD that E-CAM is working on.) This part of the page predates the merge of separate WPs into one site.
Summary of what rare events are. Should be moved to a separate page, with similar pages made for other significant topics that the other PDRAs are working on. The intro should include links to all these pages.
List of OPS-related modules, mostly written by me. Note that many of the "based on OPS" modules in the second part aren't actually based on OPS, but just happen to have been written by me (contact map stuff; DW dimers in OpenMMTools testsystems). Also, many of the ESDW modules were based on OPS, but are not listed here. Really, these are mostly the PRDA modules (prior to the new PDRAs who have joined).
Links to pilot project docs, and modules I've developed in the context of my pilot project.
Modules developed at ESDWs.
I think that figuring out how to organize the modules themselves (parts 3-5) is the hardest part. People may be interested in seeing the modules for a specific topic/related to a specific software package, or may be interested in specifically seeing the ESDW-developed modules, or may be interested in seeing modules that were developed for a specific pilot project. I think it might be possible to add tags with the Sphinx
index:: directive to create custom toctrees, so it might be possible to get enable multiple organizational "views" of the modules without a ton of extra work on our part. See also this on StackOverflow. But Sphinx always gives me a headache, so I don't want to be in charge of figuring out how to make it work!