Releases: ORNL/Equilipy
Releases · ORNL/Equilipy
Version 0.1.5
- Update Code of conduct and contribution statement
Version 0.1.4
Update
- Integrated test suite in CI/CD
- Revised
numpy
dependency to >=1.21,<2.0
Version 0.1.3
Update
- Pypi release for equilipy and equilipy-hpc
- MPI compatibility for batch equilibrium in equilipy-hpc
Minimum dependency versions
- Python minimum 3.9 required for equilipy and equilipy-hpc
- GNU fortran (gfortran) minimum 10.1 required for equilipy and equilipy-hpc
- OpenMPI or MPICH for equilipy-hpc
Version 0.1.0
Initial release
Features
- Single point equilibrium calculation
- Batch equilibrium calculation
- Phase selection for equilibrium calculations
- Scheil-Gulliver cooling calculations
Minimum dependency versions
Python minimum 3.9 required
GNU fortran (gfortran) minimum 10.1 required