Fix for Lattice
box and Tensile
simulation. Add more unit tests
#29
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Outdated suggestions cannot be applied.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.
While adding unit tests for the welding and tensile simulations I ran into a couple issues.
The box wasn't being set in a way that avoids overlapping particles along the boundaries. Now, the box lengths are longer in each direction by one lattice constant, and by a small amount (3 angstrom) in the z direction.
I fixed a couple issues with the tensile simulation class.