Metadata-Version: 2.1
Name: Pysimxrd
Version: 0.1.1
Summary: XRD simulator
Home-page: https://github.com/Bin-Cao/SimXRD
Author: CaoBin
Author-email: binjacobcao@gmail.com
Maintainer: CaoBin
Maintainer-email: binjacobcao@gmail.com
License: MIT License
Classifier: Development Status :: 3 - Alpha
Classifier: Intended Audience :: Developers
Classifier: Topic :: Software Development :: Build Tools
Classifier: License :: OSI Approved :: MIT License
Classifier: Programming Language :: Python :: 3
Classifier: Programming Language :: Python :: 3.5
Classifier: Programming Language :: Python :: 3.6
Classifier: Programming Language :: Python :: 3.7
Classifier: Programming Language :: Python :: 3.8
Classifier: Programming Language :: Python :: 3.9
Requires-Python: >=3.5
Description-Content-Type: text/markdown
Requires-Dist: scipy
Requires-Dist: ase
Requires-Dist: pymatgen

## For each crystal, we consider 13 distinct conditions, categorized into three main aspects:
+ 1. Sample-related factors: average grain size, orientation effects, extinction
effects of symmetry, and deformation under internal stress. 
+ 2. Testing conditions:
atomic thermal vibrations at room temperature, air scattering noise, and instrumental vibrations. 
+ 3. Diffractometer-related factors: Distance between the detector and
sample, detector size, slit height, sample height, and angular zero shift.
