Release notes


When making UTP potentials, the Python API allows the user to choose an objective function that minimizes the maximum error in phase shift, rather than minimizing the RMS error.


Initial public tested release. contactpp can generate:

  • Square well and top hat pseudopotentials,
  • Troullier-Martins pseudopotentials,
  • UTP pseudopotentials.

This program provides a command line script that produces input suitable for inclusion in a Casino input file, and a Python API.