v1.2.3

What's Changed

• fix: Pass PyTorch device through to AtomScaling by Pascal Salzbrenner (@PascalSalzbrenner) in #146
• fix: move tensors to correct device in batch_to_dict by Han Yang (@yanghan234) in #147
• fix: use np.int64 for pbc arrays to fix Cython dtype mismatch by Han Yang (@yanghan234) in #149
• CI: trim build workflow matrix and collapse build+test by @Copilot in #148
• test: add MD ensemble tests and si_diamond_cubic fixture by Han Yang (@yanghan234) in #150
• fix: correct MPS execution on apple silicon by Han Yang (@yanghan234) in #145
• feat: add workflow for BTE thermal conductivity by Han Yang (@yanghan234) in #151
• feat: add verbose option to Relaxer.relax by Han Yang (@yanghan234) in #152
• fix: make MatterSimCalculator picklable by Han Yang (@yanghan234) in #153

New Contributors

• Pascal Salzbrenner (@PascalSalzbrenner) made their first contribution in #146
• @Copilot made their first contribution in #148

Full Changelog: v1.2.2...v1.2.3