Add DisplacementCapped Integrator to simulation #9
Add this suggestion to a batch that can be applied as a single commit.
This suggestion is invalid because no changes were made to the code.
Suggestions cannot be applied while the pull request is closed.
Suggestions cannot be applied while viewing a subset of changes.
Only one suggestion per line can be applied in a batch.
Add this suggestion to a batch that can be applied as a single commit.
Applying suggestions on deleted lines is not supported.
You must change the existing code in this line in order to create a valid suggestion.
Outdated suggestions cannot be applied.
This suggestion has been applied or marked resolved.
Suggestions cannot be applied from pending reviews.
Suggestions cannot be applied on multi-line comments.
Suggestions cannot be applied while the pull request is queued to merge.
Suggestion cannot be applied right now. Please check back later.
This PR adds
hoomd.md.methods.DisplacementCapped
integrator to the simulation class. This integrator is based on NVE and puts a cap on the max displacement (length) per timestep.This integrator is mostly helpful when dealing with system with overlapping particles that commonly causes particle out of the box error. Using this integrator in the beginning helps with relaxing the system and overcoming the overlaps.