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| software:gaussian:gaussian [2021-02-24 16:35] – [Details by clusters] anita | software:gaussian:gaussian [2023-06-27 10:40] – frey |
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| ====== Gaussian and GaussView ====== | |
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| [[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.). | |
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| To determine the available versions of Gaussian installed use | |
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| <code> | |
| $ vpkg_versions gaussian | |
| </code> | |
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| To determine the available versions of Gaussview installed use | |
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| <code> | |
| $ vpkg_versions gaussview | |
| </code> | |
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| <note important>You must load a version 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> | |
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| =====Details by cluster===== | |
| * [[software:gaussian:caviness| Caviness]] | |
| * [[software:gaussian:farber| Farber]] | |