193 read the s2 operator expectation value and spin contamination for adf calculations#194

Merged

YHordijk merged 2 commits intomainfrom 193-read-the-s2-operator-expectation-value-and-spin-contamination-for-adf-calculations

Apr 4, 2024

+41

Commits on Apr 2, 2024

Added reading of s2 operator expectation value and calculation of spin-contamination
YHordijk
committed

Commits on Apr 3, 2024

Added tests for reading s2 properties for restricted and spinpol1 calculations
YHordijk
committed