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Releases: xnx/pyvalem

Version 2.5.8

03 Jul 12:53
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v2.5.8

Fix bug which allowed formulas like Li+2-

Version 2.5.7

04 May 09:58
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v.2.5.7

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

Version 2.5.6

25 Apr 13:16
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v2.5.6

Bump to version 2.5.6

Version 2.5.5

22 Mar 14:53
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Better LaTeX output from isotopes and states.

Version 2.5.4

11 Feb 12:15
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  • Forbid whitespace within key-value pairs
  • Allow whitespace, semicolon or commas to delimit states in StatefulSpecies

Version 2.5.3

11 Feb 10:27
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  • Omit superscript "1" from singly-occupied AtomicOrbitals in AtomicConfiguration
  • Omit semicolon delimiter in HTML output of StatefulSpecies states

Version 2.5.2

03 Feb 10:38
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  • Allows "e" instead of "e-" as a valid electron formula string.

Version 2.5.1

02 Feb 19:01
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  • Add GAMMA as a valid MolecularTermSymbol Lambda value
  • import State ABC and all the states exceptions into the states namespace

Version 2.5.0

31 Jan 17:01
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  • 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

14 Jan 12:33
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Relaxes the requirement to specify a single electron in an atomic orbital: "1s" and "1s1" are now both valid.