See cclib/cclib@e52a2f3 from refs/heads/master

Author: cclib

_sources/index.rst.txt

@@ -49,7 +49,14 @@ About cclib
 
 The code behind cclib was started as a collaboration between Noel O'Boyle, Adam Tenderholt and Karol M. Langner (see page about Development_ for details) and is licensed under the `BSD 3-clause license`_. Other developers are encouraged to contribute to this open source project -- send an email to the `mailing list`_. Applications that use cclib include GaussSum_ and QMForge_. It has also been used in the literature_.
 
-If you use cclib in your scientific work, please support our work by adding a reference to the following article:
+If you use cclib in your scientific work, please support our work by adding a reference to the following article(s):
+
+For the most up-to-date cclib reference:
+
+|           E\. Berquist, A\. Dumi, S\. Upadhyay, O.\ D.\ Abarbanel, M.\ Cho, S.\ Gaur, V.\ H.\ Cano Gil, G.\ R.\ Hutchison, O.\ S.\ Lee, A.\ S.\ Rosen, S.\ Schamnad, F.\ S.\ S.\ Schneider, C.\ Steinmann, M.\ Stolyarchuk, J.\ E.\ Vandezande, W.\ Zak, K.\ M.\ Langner, *cclib 2.0: An updated architecture for interoperable computational chemistry*, J. Chem. Phys. 161 (4), pp. 042501, **2024** (DOI2_).
+|
+
+For the original cclib paper:
 
 |           N\. M\. O'Boyle, A\. L\. Tenderholt, K\. M\. Langner, *cclib: a library for package-independent computational chemistry algorithms*, J. Comp. Chem. 29 (5), pp. 839-845, **2008** (DOI_).
 |
@@ -95,3 +102,4 @@ A record for the latest release is also available on Zenodo_.
 .. _literature: https://doi.org/10.1021/jacs.5b05600
 .. _DOI: https://doi.org/10.1002/jcc.20823
 .. _Zenodo: https://zenodo.org/record/8280878
+.. _DOI2: https://doi.org/10.1063/5.0216778

index.html

@@ -130,7 +130,13 @@ <h2>How to use cclib<a class="headerlink" href="#how-to-use-cclib" title="Link t
 <section id="about-cclib">
 <h2>About cclib<a class="headerlink" href="#about-cclib" title="Link to this heading"></a></h2>
 <p>The code behind cclib was started as a collaboration between Noel O’Boyle, Adam Tenderholt and Karol M. Langner (see page about <a class="reference external" href="development.html">Development</a> for details) and is licensed under the <a class="reference external" href="https://en.wikipedia.org/wiki/BSD_licenses#3-clause_license_(%22BSD_License_2.0%22,_%22Revised_BSD_License%22,_%22New_BSD_License%22,_or_%22Modified_BSD_License%22)">BSD 3-clause license</a>. Other developers are encouraged to contribute to this open source project – send an email to the <a class="reference external" href="https://groups.google.com/g/cclib">mailing list</a>. Applications that use cclib include <a class="reference external" href="http://gausssum.sourceforge.net/">GaussSum</a> and <a class="reference external" href="https://qmforge.net/">QMForge</a>. It has also been used in the <a class="reference external" href="https://doi.org/10.1021/jacs.5b05600">literature</a>.</p>
-<p>If you use cclib in your scientific work, please support our work by adding a reference to the following article:</p>
+<p>If you use cclib in your scientific work, please support our work by adding a reference to the following article(s):</p>
+<p>For the most up-to-date cclib reference:</p>
+<div class="line-block">
+<div class="line">E. Berquist, A. Dumi, S. Upadhyay, O.D.Abarbanel, M.Cho, S.Gaur, V.H.Cano Gil, G.R.Hutchison, O.S.Lee, A.S.Rosen, S.Schamnad, F.S.S.Schneider, C.Steinmann, M.Stolyarchuk, J.E.Vandezande, W.Zak, K.M.Langner, <em>cclib 2.0: An updated architecture for interoperable computational chemistry</em>, J. Chem. Phys. 161 (4), pp. 042501, <strong>2024</strong> (<a class="reference external" href="https://doi.org/10.1063/5.0216778">DOI2</a>).</div>
+<div class="line"><br /></div>
+</div>
+<p>For the original cclib paper:</p>
 <div class="line-block">
 <div class="line">N. M. O’Boyle, A. L. Tenderholt, K. M. Langner, <em>cclib: a library for package-independent computational chemistry algorithms</em>, J. Comp. Chem. 29 (5), pp. 839-845, <strong>2008</strong> (<a class="reference external" href="https://doi.org/10.1002/jcc.20823">DOI</a>).</div>
 <div class="line"><br /></div>