1.0.0

v1.0.0 is a breaking, complete overhaul of the input parsing in Calphy. The documentation and tests have been updated accordingly.

What's Changed

• enable separate switching times for fe and ts modes by @srmnitc in #27
• update reversible scaling run by @srmnitc in #28 (#25 )
• Do not assume all pair_coeff come with a path by @pmrv in #23
• Restructure input by @srmnitc in #29
  - Potential can be input in a file instead of pair-coeff terms
  - update pscale/tscale methods
  - specify dependencies with version number (#30, #22)

New Contributors

• @pmrv made their first contribution in #23

Full Changelog: 0.9.0...1.0.0