Skip to content

To do items for a subsequent revision (?) #71

@davidlmobley

Description

@davidlmobley

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

Metadata

Metadata

Assignees

No one assigned

    Labels

    No labels
    No labels

    Type

    No type
    No fields configured for issues without a type.

    Projects

    No projects

    Milestone

    No milestone

    Relationships

    None yet

    Development

    No branches or pull requests

    Issue actions