jarvis.analysis.diffraction.xrd
¶
Module to predict X-ray diffraction.
Module Contents¶
Classes¶
Constryct an XRD class. |
- class jarvis.analysis.diffraction.xrd.XRD(wavelength=1.54184, thetas=[0, 180], two_theta_array=[], dhkl_array=[], intensity_array=[], scaling_factor=100, two_theta_tol=1e-05, intensity_tol=0.5, max_index=5)[source]¶
Bases:
object
Constryct an XRD class.
- simulate(atoms=None)[source]¶
Simulate XRD pattern.
Forked from https://github.com/qzhu2017/XRD.