hydrogen_atom_3d.py

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from libschrodinger.numerov3d import *
from libschrodinger.plot3d import *
from libschrodinger.potentials3d import *
import matplotlib
import pyqtgraph as pg

def main(): 
    pointCount : int = 50
    grid = makeLinspaceGrid(pointCount, 1, 3, halfSpaced = True)
    potential = hydrogenAtom(grid, potential = .05)
    waves = computeWaveFunction(
            potential, 
            energyCount = 20, 
            gpuAccelerated = False, 
            eigenValueType = EigenValueTypes.SMALLEST_MAGNITUDE
        )
    currentEnergy = 0
    application = pg.mkQApp()
    plots = GPUAcclerated3DPlotApplication(application, potential, waves)
    application.instance().exec()


if __name__ == "__main__": 
    main()