Releases: mducle/libmcphase
Releases · mducle/libmcphase
v0.2.0
Add fitengy algorithm and refactor physical properties calculations.
Add new webassembly version (runs under Pyodide)
- Refactor physical properties into a separate class inherited by
cf1ionandic1ion. - This allows heat capacity and magnetisation / susceptibility calculations to both classes.
- Fix constants and units bug in physical properties calculations
- Change behaviour of magnetisation to be consistent with McPhase and not FOCUS/Mantid
That is, M(H) is outputed as the component parallel to H (M_parallel) not the
mean-square of individual components. - Update CMakeFile and switch to using pyproject.toml and scikit-build
- Add
fitengyalgorithm - Add Fabi normalised parameters and
split2rangefunction.
v0.1.3: Fix gh-actions (#2)
Library / dependencies update
- Update build system - now supports MacOS (Intel and ARM).
- Cleans up some compiler warnings
Example scripts (after installing with pip install libmcphase)
import libmcphase
cfp = libmcphase.cf1ion('Pr3+', B20=0.1, B40=0.01, B60=0.001, B66=-0.02)
V, E = cfp.eigensystem()
print(E)
Pre-alpha release
Pre-alpha release with only single-ion calculations of energy levels and some physical properties (magnetisation, susceptibility).
Very little documentation.