Scientific Application – Cambridge Structural Database
Description: Overview Note: You must be a “tcsh” or “csh” user to benefit from the full functionality of this package. The Cambridge Structural Database (CSD) contains the largest database of experimentally determined organic and organometallic crystal structures in the world. The database comes with a suite of graphical search, retrieval, data manipulation and visualization software. Research […]
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Mathematical and Statistical Application – Stata – Common FAQs
Description: Why do I get “.smcl” files when I try to output “.log” files in Stata? How can I change the format of data for my axes in my graph? How can I convert a string date variable into date formats that can be used for age calculations? Why is that when I attempted to paste […]
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Gaussian: Tutorial on Water Single Point Energy and the Command Line
Description: Table of Contents Introduction Setup on the Available Clusters Run Gaussian in scratch space Tutorial Steps Running Gaussian on the Clusters Additional Links Introduction You can use command line execution to create and save a Gaussian input file. Below is an example based on restricted Hartree-Fock calculations on a 6-31G(d) basis set for water single […]
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Research Computing: Contact Us
Description: By Web Complete the web form Submit a Help Request.  In the “Choose the Department or Service you need assistance with” drop-down, select ITS Services then under “Type of Help Needed” drop-down, select Research Computing. In the Problem Description box, describe the problem and specify your operating system (Linux, Windows, etc.), the name/version of the […]
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