Quantum trajectory calculations made stable with Lorentzian trajectory basis functions
#================== Revision 2 ==============================
soft_3.py - run exact calculations
run_cauchy3.py - run Bohmian or classical simulations with the option parameterized by the command-line input
run_all.py - run a series of Bohmian or classical calculations (by calling the run_cauchy3 script)
in a more automated way
Once you have run all the calculations (all the above scripts one by one), you can start plotting the results using this Jupyter notebook:
plot_convergence.ipynb
The new set of exact calculations is too large but are fast to produce by running soft_3.py, so they are not included in this revision - the .pt files already present are from the previous revision
#================== Revision 1 ============================== soft.py - run exact calculations
run.py - classical MD
run_cauchy.py - run Bohmian simulations with the option parameterized by the command-line input
run_all.py - run a series of Bohmian calculations (by calling the run_cauchy script)
in a more automated way
Once you have run all the calculations (all the above scripts one by one), you can start plotting the results using this Jupyter notebook:
plot-all.ipynb
The .pt files included here contain the results ofr classical, Bohmian, and exact quantum
calculations are are ready to be used for plotting