vcell Langevin Solver code maintenance

Solver code maintenance

Fix bugs in the solver
modify the code to implement new algorithms (lambda, on / off rate
add sanity checks in the client

Apr 15 '25 17:04 danv61

PR #1532 upgrading to langevin 1.4.0 what's new:

new solver algorithm for computing lambda (from Boris), see https://github.com/cam-center/LangevinNoVis01/issues/13
postprocessing algorithm for multiple runs (averages, min, max, std) and cluster analysis, see https://github.com/cam-center/LangevinNoVis01/issues/17 and https://github.com/cam-center/LangevinNoVis01/issues/19

Jun 09 '25 19:06 danv61

@danv61 What's left to do for this issue?

Jun 10 '25 16:06 CodeByDrescher

This is an umbrella issue, part of the Springsalad new feature (Issue #870), covering any changes to the Langevin solver. The solver side of the development is actually finished, but I plan to keep the issue open for unscheduled modifications / fixes)

Jun 10 '25 18:06 danv61

Possible fix for Json serialization bug https://github.com/cam-center/LangevinNoVis01/issues/22

Jun 30 '25 19:06 danv61

Fixed image runtime error with GraalVM by providing reflection metadata https://github.com/cam-center/LangevinNoVis01/pull/23

Jul 01 '25 19:07 danv61

Related issue: Now using langevin solver 1.4.2 #1559

Jul 01 '25 20:07 danv61

Fixed force ordering by time the clusters info map before serialization to json file https://github.com/cam-center/LangevinNoVis01/pull/24 Related issue: https://github.com/cam-center/LangevinNoVis01/issues/25

Jul 21 '25 20:07 danv61

Cluster files on linux are not ordered, we sort them post loading by numerical time component in the name https://github.com/cam-center/LangevinNoVis01/pull/26 Sort cluster files by numerical time component

Jul 22 '25 20:07 danv61

added comprehensive automated testing https://github.com/cam-center/LangevinNoVis01/pull/26

Aug 13 '25 15:08 danv61