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Commits on Aug 10, 2023

• added custom CSS file for changing background colour of logo

  

  Luca Babetto

  committed
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• removed logos with white background

  

  Luca Babetto

  committed
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• added logo to documentation

  

  Luca Babetto

  committed
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Commits on Aug 3, 2023

• Updated logo to higher resolution

  ppravatto

  committed
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• Added an early version of the logo

  ppravatto

  committed
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• Integrated GES-comp-echem in the SPyCCI project

  ppravatto

  committed
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Commits on May 10, 2023

• removed calls to deprecated add_flags function

  

  GES-lbabetto

  committed
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• Documentation update + version bump

  ppravatto

  committed
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Commits on May 9, 2023

• removed temporary files

  ppravatto

  committed
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• Changelog update with the new features.

  ppravatto

  committed
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• Added documentation for the following:

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  GES-lbabetto

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Commits on Mar 29, 2023

• Version bump to 0.3.1 + added changelog

  ppravatto

  committed
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• added interactive code to getting-started + script to generate sample files

  

  GES-lbabetto

  committed
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Commits on Mar 28, 2023

• Some updates to docs

  ppravatto

  committed
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Commits on Mar 20, 2023

• Early version of the mogli-based viewer

  ppravatto

  committed
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Commits on Feb 10, 2023

• Version bump to 0.3.0 and update to documentation

  ppravatto

  committed
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• Update to the reduction potential function + update to docs + added tests

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  ppravatto

  and

  Luca Babetto

  committed
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Commits on Feb 9, 2023

• Set pka property in protonated system as default + update to tests and docs

  ppravatto

  committed
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Commits on Feb 8, 2023

• Update to documentation + test update for pKa module

  ppravatto

  committed
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Commits on Jan 12, 2023

• Update to the documentation

  ppravatto

  committed
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Commits on Jan 4, 2023

• Update to documentation + included vmdtools in __init__ of the tool module

  ppravatto

  committed
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Commits on Dec 27, 2022

• Docstring update to properties +

  ppravatto

  committed
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• Update to documentation: Created API for core module

  ppravatto

  committed
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Commits on Dec 23, 2022

• Update to documentation (still to update API with core module + update of examples)

  ppravatto

  committed
  03a1827

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• First update to documentation

  ppravatto

  committed
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Commits on Dec 5, 2022

• Added note on the fukui function documentation to explain the fukui.cube format

  ppravatto

  committed
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Commits on Nov 29, 2022

• Documentation update for the Fukui function calculation

  ppravatto

  committed
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Commits on Oct 19, 2022

• finalized documentation

  

  GES-lbabetto

  committed
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Commits on Oct 18, 2022

• documentation (only tools are missing)

  

  GES-lbabetto

  committed
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Commits on Sep 12, 2022

• typo in doc

  

  GES-lbabetto

  committed
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Commits on Sep 9, 2022

• updated documentation

  

  GES-lbabetto

  committed
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Commits on Aug 29, 2022

• version bump

  

  GES-lbabetto

  committed
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Commits on Aug 25, 2022

• converted getting started .ipynb to .md

  

  GES-lbabetto

  committed
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• finalized documentation

  

  GES-lbabetto

  committed
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Commits on Aug 24, 2022

• removed leftover files

  

  GES-lbabetto

  committed
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