TODO

change workflow in following way


Potential, ndimensions
contains all PES information
number of electronic states, domain, 
completely indepedent of dynamics and theory


Model - universal for wave particle necklace in the 
fact that it contains mass, and asks for potential

wave
   gets a potential
   (the potential helps wave to figure out stuff)
   mass
   DVR, ngrid, etc
   solver
   integrator 


   -solve
   -run
   -visualize


particle
    gets a potential
    mass
   mass momentum
   particle has function set_thermostat(pass it a thermostat)

necklace
    inherit particle
    mass, list of masses, momentum
    p = N




thermostats
   indepdentn of everything else