Equilipy - Version 0.1.5

• Update Code of conduct and contribution statement

Scientific Software - Peer-reviewed - Fortran
Published by SunyongKwon over 1 year ago

Equilipy - Version 0.1.4

Update

• Integrated test suite in CI/CD
• Revised numpy dependency to >=1.21,<2.0

Scientific Software - Peer-reviewed - Fortran
Published by SunyongKwon over 1 year ago

Equilipy - 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

Scientific Software - Peer-reviewed - Fortran
Published by SunyongKwon over 1 year ago

Equilipy - 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

Scientific Software - Peer-reviewed - Fortran
Published by SunyongKwon almost 2 years ago