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Docs warning for charge in DielectricConstant
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PicoCentauri committed Aug 28, 2023
1 parent d8107b6 commit f266906
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4 changes: 3 additions & 1 deletion package/CHANGELOG
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Expand Up @@ -13,14 +13,16 @@ The rules for this file:
* release numbers follow "Semantic Versioning" http://semver.org

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??/??/?? IAlibay, hmacdope, pillose, jaclark5, tylerjereddy
??/??/?? IAlibay, hmacdope, pillose, jaclark5, tylerjereddy, PicoCentauri

* 2.7.0

Fixes
* Fix Atom type guessing error (PR #4168, Issue #4167)

Enhancements
* Added a warning about charge neutrality to the documentation of
``DielectricConstant`` (Issue #4262, PR #4263)

Changes
* NumPy `in1d` replaced with `isin` in preparation for NumPy
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4 changes: 4 additions & 0 deletions package/MDAnalysis/analysis/dielectric.py
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Expand Up @@ -65,6 +65,10 @@ class DielectricConstant(AnalysisBase):
the usual case if electrostatics are handled with a Ewald summation
technique. See [Neumann1983]_ for details on the derivation.
.. warning::
Applying this class requires that no free charges, such as ions or
charged fragments, are present in the simulation.
Parameters
----------
atomgroup : MDAnalysis.core.groups.AtomGroup
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