Bump aimsgb from 0.1.3 to 1.1.1

dependabot[bot] commented 3 months ago

Bumps aimsgb from 0.1.3 to 1.1.1.

Release notes

v1.1.1

Fix bug that causes grain_a and grain_b to be the same.

v1.1.0

A major change for generating grain boundaries with non-cubic input structures. Please note that I still don't have a perfect solution to deal with any non-cubic input structures.

For hexagonal lattice system, I added pre-calculated CSL matrices, so that the CSL matrix doesn't need to be calculated every time. At this moment, I only have CSL matrices for rotation axis [001] with sigma 5, 13 and 17.

All the other grain boundaries will use Grain.set_orthogonal_grain method instead. Please note that this method breaks inherent symmetries in the grain structure.

v1.0.3

from @samwaseda Bug fix. #10

v1.0.2

from @pmrv Pass through all args/kwargs in Grain.init

v1.0.1

Use consistent direction throughout the code.

v1.0.0

Use Grain.stack_grains to combine two grains. The GrainBoundary.build_gb will be deprecated in a next major release. This is because the Grain.stack_grains function can also be used to create interface models.

Introduce Grain.add_selective_dynamics function to fix certain layers in each grain.

Add several unit tests.

Commits

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