You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Things it doesn't seem like we will get to for our initial version, but which would probably be good to include:
"Blowing up" as a symptom of deeper problems/energy minimization issues; I can't tell you how many times I've had students spend a lot of time trying to figure out what's wrong with their constraint algorithm, when really that's just a symptom of the underlying problem (inadequate minimization, or a setup which is fundamentally flawed -- molecules sitting on top of each other, bad bonds, etc.).
Make sure we reference appropriate Leimkuhler work on integrators
The text was updated successfully, but these errors were encountered:
Add more references to integrators section, especially good comparisons of properties such as accuracy (phase-space preservation), and energy conservation. Unbiased reviews not associated with methods development would be ideal, but as these seem rare a carefully-selected set of papers from the field would be appropriate.
Things it doesn't seem like we will get to for our initial version, but which would probably be good to include:
The text was updated successfully, but these errors were encountered: