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fix: correct pre-commit and ruff issues
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physics/hamiltonian.py

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@@ -6,11 +6,14 @@
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- In classical mechanics, it is the sum of kinetic and potential energies.
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- In quantum mechanics, it becomes an operator acting on the wavefunction ψ(x), describing how the system evolves in time.
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- In quantum mechanics, it becomes an operator acting on the wavefunction ψ(x),
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describing how the system evolves in time.
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This module includes:
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- classical_hamiltonian(): return total energy for given mass, momentum, and potential.
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- quantum_hamiltonian_1d(): Builds a 1D Hamiltonian matrix for numerical quantum systems.
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- classical_hamiltonian(): return total energy for given mass, momentum,
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and potential.
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- quantum_hamiltonian_1d(): Builds a 1D Hamiltonian matrix for numerical
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quantum systems.
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"""
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import numpy as np
@@ -23,7 +26,7 @@ def classical_hamiltonian(
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Calculate the classical Hamiltonian (total energy) of a particle.
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The Hamiltonian(H) represents the total energy of the system:
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H = (momentum² / (2 × mass)) + potential_energy
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H = (momentum² / (2 * mass)) + potential_energy
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Parameters:
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mass (float): Mass of the particle (must be positive).
@@ -74,19 +77,22 @@ def quantum_hamiltonian_1d(
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This turns the continuous operator into a discrete matrix.
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Formula:
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H[i, i] = (ħ² / (m × Δx²)) + V[i]
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H[i, i±1] = - (ħ² / (2m × Δx²))
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H[i, i] = (ħ² / (m * Δx²)) + V[i]
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H[i, i±1] = - (ħ² / (2m * Δx²))
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Parameters:
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mass (float): Mass of the particle. (must be positive)
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hbar (float): Reduced Planck constant. (must be positive)
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potential_energy_array (np.ndarray): Potential energy values V(x) at each grid point.
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grid_spacing (float): Distance between consecutive grid points Δx. (must be positive)
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potential_energy_array (np.ndarray): Potential energy values V(x)
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at each grid point.
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grid_spacing (float): Distance between consecutive grid points Δx.
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(must be positive)
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round_to (int | None): Number of decimal places to round the matrix to.
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If None (default), no rounding is applied.
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Returns:
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np.ndarray: The discrete Hamiltonian matrix representing the total energy operator.
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np.ndarray: The discrete Hamiltonian matrix representing
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the total energy operator.
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Examples:
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>>> import numpy as np

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