pyRISM v0.3.1

Changes:

• Improved MDIIS solver
• Outputting diagnostics now
• Implemented charging
• PSE-n closure working properly
• Improved loud output
• Added a Write flag in Calculator

pyRISM 0.3.0

pyRISM rewritten in Rust, with bindings for Python.
Initial refactor, parity with pyRISM Python code.

See README.md for installation and usage.

pyRISM 0.2.0

Usage breaks compared to 0.1.1

Check wiki for details of usage.

pyRISM v0.1.1

pyRISM-CNN

Removed extra output

v0.1.0

Initial release