Version 2.5.7

Ensure that n=# key-value pair is before all other key-value pairs in…

… canonical ordering

Version 2.5.6

v2.5.6

Bump to version 2.5.6

Version 2.5.5

Better LaTeX output from isotopes and states.

Version 2.5.4

• Forbid whitespace within key-value pairs
• Allow whitespace, semicolon or commas to delimit states in StatefulSpecies

Version 2.5.3

• Omit superscript "1" from singly-occupied AtomicOrbitals in AtomicConfiguration
• Omit semicolon delimiter in HTML output of StatefulSpecies states

Version 2.5.2

• Allows "e" instead of "e-" as a valid electron formula string.

Version 2.5.1

• Add GAMMA as a valid MolecularTermSymbol Lambda value
• import State ABC and all the states exceptions into the states namespace

Version 2.5.0

• Some fraction of the codebase gets proper docstrings, documentation is changed so it allows for testing.
• All the states-related code gets refactored to a pyvalem.states subpackage. As a result, if the concrete state classes need to be imported on their own, this is done now by

  from pyvalem.states import AtomicConfiguration
  from pyvelem.states import MolecularTermSymbol
  

  etc.

Version 2.4.1

Relaxes the requirement to specify a single electron in an atomic orbital: "1s" and "1s1" are now both valid.

Version 2.4.0

• README file updated
• The whole codebase black-formatted
• Tox and test coverage configured
• GitHub Actions for CI and CD added