Input File driven Usage MCTDH-X

The basic workflow of a numerical solution of the time-dependent many-boson Schrödinger equation, $\hat{H}\vert \Psi \rangle = i \partial_t \vert \Psi \rangle$ (TDSE), with MCTDH-X is the following:

1. Define the Hamiltonian $\hat{H}$.
   Modify Get_InterParticle_Potential.F and Get_1bodyPotential.F.
2. Define the initial state $\vert \Psi \rangle$.
   Modify Get_Initial_Coefficients.F and Get_Initial_Orbitals.F.
3. Solve the TDSE by propagating in real or imaginary time.
   libmake, then libcp, (maybe inpcp, modify MCTDHX.inp),finally MCTDHX.
4. Analyze and visualize the solution $\vert \Psi \rangle$.
   (maybe inpcp, modify analysis.inp), run MCTDHX_analysis, process ASCII data with gnuplot.

Steps (1) through to (3) are done with the main program and step (4) is done with the analysis program and movie bash scripts. There is several ways of automatization of the above 4-step scheme. As mentioned above, there is a scripts called MonsterScript.sh in the Computation_Scripts directory that allows a fully integrated and automated processing of whole series of computations. Finally, the data processing to videos is automated in the visualization master script vms.sh.