Differences

This shows you the differences between two versions of the page.

--- software:gaussian:gaussian [2019-06-25 15:31] – [Details by clusters] anita
+++ software:gaussian:gaussian [2023-06-27 10:41] (current) – frey
@@ Line 1: / Line 1: @@
-====== Gaussian ======
+====== Gaussian and GaussView ======
+[[http://gaussian.com/|Gaussian]] is general purpose computational chemistry software package. GaussView is a graphical interface used with Gaussian. It aids in the creation of Gaussian input files, enables the user to run Gaussian calculations from a graphical interface without the need for using a command line instruction, and helps in the interpretation of Gaussian output (e.g., you can use it to plot properties, animate vibrations, visualize computed spectra, etc.).
+<WRAP center round important 60%>
+The University of Delaware owns a site license to Gaussian software.  Only cluster accounts using a UDelNet Id are covered by that license and have access to the software described on this page and the cluster-specific pages for this software.
+</WRAP>
-[[http://gaussian.com/|Gaussian]] is general purpose computational chemistry software package.
 To determine the available versions of Gaussian installed use
@@ Line 9: / Line 14: @@
 </code>
-=====Details by clusters=====
+To determine the available versions of Gaussview installed use
+<code>
+$ vpkg_versions gaussview
+</code>
+<note important>You must load a version of Gaussian before Gaussview, and you should load the correct version of Gaussview according to the version of Gaussian you load. For example, if you want to use Gaussian version g16c01, then Gaussview 6.1.1 should be loaded by using the VALET command ''vpkg_require gaussian/g16c01 gaussview/6.1.1''</note>
+=====Details by cluster=====
   * [[software:gaussian:caviness| Caviness]]
+  * [[software:gaussian:darwin| DARWIN]]
   * [[software:gaussian:farber| Farber]]