v0.2.4

What's Changed

• Update Dockerfile by @PythonFZ in #367
• Update Dockerfile by @PythonFZ in #368
• Update pyproject.toml by @PythonFZ in #370
• Fix tqdm progress bar in orca calculator by @MrJulEnergy in #369
• shell from env, bugfix self.frames by @PythonFZ in #371
• fixed thresholdcheck by @M-R-Schaefer in #372
• Update Dockerfile by @PythonFZ in #373
• Update entrypoint.sh by @PythonFZ in #374
• add failure_policy by @PythonFZ in #375
• update zntrack by @PythonFZ in #376
• fix tqdm order by @PythonFZ in #377
• recreate calc by @PythonFZ in #378
• fixed threshold check by @M-R-Schaefer in #379
• Collect md steps by @PythonFZ in #380
• Search trajectory for outliers by @PythonFZ in #381
• switched xtb-python with tblite by @M-R-Schaefer in #384
• rename atoms to frames by @PythonFZ in #385
• migrate to uv by @PythonFZ in #390

Full Changelog: v0.2.3...v0.2.4