New version available with:
- Hexagonal-like crystal structure (hcp, wurtzite, etc.)
- Diatomic material available (ex: NiAl, ZnO, etc.)
- New "precipitate in matrix" function. It allows to design a rough precipitate embedded in a 3D-periodic matrix. The precipitate can be of any shape already available in Pyrough (sphere, cube, block-like shape, cylinder, Wulff-shape). Any combination of crystal structure and orientation can be used for both the precipitate and the matrix.
- Update of the "grain" object for modeling rough grain boundaries:
- In some cases, atoms of grain 2 near a boundary were incorrectly assigned to grain 1. This bug has been fixed, at least for the tested case (please reach out if the issue persists).
- Grain 2 is now elastically stretched to fit the dimension of grain 1, improving the continuity at the boundary.
- New "-test_pyrough_execution" option that ensures the correct implementation of Pyrough by sequentially testing all .json files in the examples/ folder.
- Additional examples provided in the examples/ folder.
- Minor bugs solved.
- Documentation updated.
