NuclearOperator.py 文件源码

def __init__(self, space, nuclearHamiltonian, overRideDT=None):
        self.myHamiltonian = nuclearHamiltonian
        self.mySpace = space
        if overRideDT is None:
            self.dt = self.mySpace.dt
        else:
            self.dt = overRideDT

        #set up the kinetic propagator,
        kineticSurface = self.myHamiltonian.myKineticOperator.surface
        kineticSurface = np.exp(-1.0j * .5 *self.dt * kineticSurface / self.mySpace.hbar)
        self.myKineticOperator = momentumOperator(self.mySpace, kineticSurface)

        #set up the potential propagator
        potentialSurface = self.myHamiltonian.myPotentialOperator.surface
        potentialSurface = np.exp(-1.0j * self.dt * potentialSurface / self.mySpace.hbar)

        self.myPotentialOperator = positionOperator(self.mySpace, potentialSurface)