Merge pull request #6 from molssi-seamm/dev

Added optional correction for cell size
molssi-seamm · Jul 30, 2024 · 204065d · 204065d
2 parents a710b7f + 7e29574
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diff --git a/HISTORY.rst b/HISTORY.rst
@@ -1,6 +1,12 @@
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 History
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+2024.7.30 -- Added optional correction for cell size
+    * Added an option to use the Yeh-Hummer hydrostatic correction for the effects of
+      the finite cell size. The viscosity is required as an input, but the correction
+      eliminates the need to extrapolate to 1/L = 0.
+    * Added control parameters and timings to the available results.
+
 2024.7.21 -- Significant improvements!
     * Simplified error analysis to safe approach of analyzing the diffusion constants
       over runs.