Performs lattice calculations for crystallography and neutron scattering, primarily for triple-axis spectrometers.
pip install icp-lattice-calculatorfrom lattice_calculator import Lattice, modvec, scalar, Orientation
import numpy as np
# Define a cubic lattice
lattice = Lattice(
a=5.0, b=5.0, c=5.0,
alpha=90, beta=90, gamma=90,
orient1=np.array([[1, 0, 0]]),
orient2=np.array([[0, 1, 0]])
)
# Calculate Q magnitude
q_mag = modvec(1, 0, 0, 'r', lattice)- Crystal lattice definitions with arbitrary unit cells
- Orientation matrix calculations
- Conversion between reciprocal and real space
- Vector operations (modvec, scalar, angle calculations)
- Integration with rescalculator for TAS resolution
MIT