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Releases: mducle/libmcphase

v0.2.0

26 Apr 03:34
94de735

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v0.2.0 Pre-release
Pre-release

Add fitengy algorithm and refactor physical properties calculations.
Add new webassembly version (runs under Pyodide)

  • Refactor physical properties into a separate class inherited by cf1ion and ic1ion.
  • 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 fitengy algorithm
  • Add Fabi normalised parameters and split2range function.

v0.1.3: Fix gh-actions (#2)

26 Apr 03:02
5598bb1

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Pre-release

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

23 Apr 14:56

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Pre-alpha release Pre-release
Pre-release

Pre-alpha release with only single-ion calculations of energy levels and some physical properties (magnetisation, susceptibility).

Very little documentation.