Source code for aiida_vasp.utils
"""
Utility functions for VASP calculations.
"""
import numpy as np
[docs]
def get_maximum_force(forces: np.ndarray) -> float:
norm = np.linalg.norm(forces, axis=1)
return np.amax(np.abs(norm))
"""
Utility functions for VASP calculations.
"""
import numpy as np
[docs]
def get_maximum_force(forces: np.ndarray) -> float:
norm = np.linalg.norm(forces, axis=1)
return np.amax(np.abs(norm))