Quantum-Dynamics-Hub / libra-code

https://quantum-dynamics-hub.github.io/libra/index.html
GNU General Public License v3.0
50 stars 46 forks source link

Switch from nstates to states list #155

Closed mdutra21 closed 2 years ago

mdutra21 commented 2 years ago

Updated C++ and Python components to accept the dyn_params entry "states", which is a list of states to be calculated. This replaces the old dyn_params entry "nstates", which vaguely specified only the number. Also added wf_calc_nD in qtag_calc.py to reconstruct the wavefunction from saved trajectory data.