Python Mixer Examples

Example #1

File: density.py Project: yidapa/lfdft

class Density:
    def __init__(self, grid, setups, atoms):
        self.grid = grid
        self.rho = _gaussian_density(grid, atoms)
        self.mixer = Mixer(grid)
        self.mixer.mix(self.rho)
        
    def update(self, wfs):
        self.rho = wfs.calculate_density()
        self.mixer.mix(self.rho)

    def get_total_charge(self):
        return self.rho.sum() * self.grid.vol

Example #2

class Density:
    def __init__(self, grid, setups, atoms):
        self.grid = grid
        self.rho = _gaussian_density(grid, atoms)
        self.mixer = Mixer(grid)
        self.mixer.mix(self.rho)

    def update(self, wfs):
        self.rho = wfs.calculate_density()
        self.mixer.mix(self.rho)

    def get_total_charge(self):
        return self.rho.sum() * self.grid.vol

Example #3

File: density.py Project: yidapa/lfdft

 def __init__(self, grid, setups, atoms):
     self.grid = grid
     self.rho = _gaussian_density(grid, atoms)
     self.mixer = Mixer(grid)
     self.mixer.mix(self.rho)

Example #4

 def __init__(self, grid, setups, atoms):
     self.grid = grid
     self.rho = _gaussian_density(grid, atoms)
     self.mixer = Mixer(grid)
     self.mixer.mix(self.rho)