arc.alkali_atom_functions.saveCalculation#

saveCalculation(calculation, fileName: str)[source]#

Saves calculation for future use.

Saves calculations_atom_pairstate.PairStateInteractions and calculations_atom_single.StarkMap calculations in compact binary format in file named filename. It uses cPickle serialization library in Python, and also zips the final file.

Calculation can be retrieved and used with loadSavedCalculation

Parameters

  • calculation – class instance of calculations (instance of calculations_atom_pairstate.PairStateInteractions or calculations_atom_single.StarkMap) to be saved.

  • fileName – name of the file where calculation will be saved

Example

Let’s suppose that we did the part of the calculation_atom_pairstate.PairStateInteractions calculation that involves generation of the interaction matrix. After that we can save the full calculation in a single file:

calc = PairStateInteractions(Rubidium(),
        60,0,0.5,
        60,0,0.5,
        0.5,0.5)
calc.defineBasis(0,0, 5,5, 25.e9)
calc.diagonalise(np.linspace(0.5,10.0,200),150)
saveCalculation(calc, "mySavedCalculation.pkl")

Then, at a later time, and even on the another machine, we can load that file and continue with calculation. We can for example explore the calculated level diagram:

calc = loadSavedCalculation("mySavedCalculation.pkl")
calc.plotLevelDiagram()
calc.showPlot()
rvdw = calc.getVdwFromLevelDiagram(0.5,14,
    minStateContribution=0.5,
    showPlot = True)

Or, we can do additional matrix diagonalization, in some new range, then and find C6 by fitting the obtained level diagram:

calc = loadSavedCalculation("mySavedCalculation.pkl")
calc.diagonalise(np.linspace(3,6.0,200),20)
calc.getC6fromLevelDiagram(3,6.0,showPlot=True)

Note that for all loading of saved calculations we’ve been using function loadSavedCalculation .

Note

This doesn’t save results of plotLevelDiagram for the corresponding calculations. Call the plot function before calling showPlot function for the corresponding calculation.