Releases: xnx/pyvalem
Releases · xnx/pyvalem
Version 2.5.8
v2.5.8 Fix bug which allowed formulas like Li+2-
Version 2.5.7
v.2.5.7 Ensure that n=# key-value pair is before all other key-value pairs in…
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 byetc.from pyvalem.states import AtomicConfiguration from pyvelem.states import MolecularTermSymbol
Version 2.4.1
Relaxes the requirement to specify a single electron in an atomic orbital: "1s" and "1s1" are now both valid.