You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Python program to compute molecular g-matrices using Bolvin’s state-interaction method for doublet systems, integrated in EzMagnet. Parses Q-Chem outputs to build effective Hamiltonians and obtain spin–orbit-coupled states for g-matrix analysis.