v3.7.1-beta

• Name of output JSON file can be modified with --json <optional: "file name">
• Minor code fixes

v3.7-beta

• Included --json option to enable JSON output
• Direct calculation of numerical derivatives of polarizabilities within PTB
• Minor formatting and code clean-ups.

v3.6-beta

! WARNING: PRELIMINARY PARAMETER SET - SHOULD NOT BE USED FOR PRODUCTION CALCULATIONS AND ONLY FOR INTERNAL USE !

• Full function volume for all elements Z < 87
• Preliminary parametrization for all elements except for HCNO
• see ptb -help for additional resources