4.5.6

• Revert versioning to not use setuptools_scm, since Python root is not SCM root: this breaks installation.

4.5.5

• Add rocking curve outputs to Darwin Width calculation
• move to only pyproject.toml
• update, clarify license
• many small cleanups to code and docs

4.5.4

some more doc tweaks

4.5.3

Bugfixes:

• change setting the version numbers in the Python code: avoid using setuptools_scm in a subfolder of the main git repo. The version number is now hardwired into setup.cfg and xraydb/version.py, and must be consistent.

4.5.2

• fix several problems with importing database with sqlalchemy, now requiring version 2.0.1
• use platformdirs to get the configuration folder for the materials.dat file.
• several doc improvements

4.5.1

• add table of Compton-scattered energies: mean (90 deg scattering) X-ray energies and mean energy of the scattered electron, integrated over angle dependence (Klein-Nishina disrribution)
• use these tabulated mean energies of the Compton-scattered electron in the calculation of ion chamber fluxes.
• add elements up to Z=118 in element table, and add element name (English). No current X-ray data goes that high....
• many small improvements in doc and use of pyproject/setup.cfg
• replace support for Python 3.7 with support for Python 3.11

4.5.0: Merge pull request #23 from easyXAFS/master

Transmission sample calculation bug fix; add molar_fraction to output of transmission_sample

4.4.7

New features/fixes:

• Add working categories argument to get_materials() (Christian Schlepuetz)
• Add functions to calculate sample quantities to get ~1 absorption length for transmission mode XAFS measurements (easyXAFS)
• fix roughness calculation for mirror reflectivity
• allow 'D' and numbers starting with a decimal ('.7') in chemical formulas
• using Github Actions for CI testing

4.4.6

update doc for including Compton scattering in ion chamber

4.4.5

some doc improvements for Darwin Widths, front-page links