Transcription of Input Description 2-1 - Iowa State University
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Input Description 2-1 - Iowa State University
Input Description 2-1. (1 July 2016). **. * *. * Section 2 - Input Description *. * *. **. This section of the manual describes the Input to GAMESS. The section is written in a reference, rather than tutorial fashion. However, there are frequent reminders that more information can be found on a particular Input group, or type of calculation, in the 'Further Information'. section of this manual. Numerous complete Input files are shown in the ' Input Examples' section. Note that this chapter of the manual can be searched online by means of the "gmshelp" command, if your computer runs Unix. A command such as gmshelp scf will display the $SCF Input group. With no arguments, the gmshelp command will show you all of the Input group names. Type "<return>" to see the next screen, "b" to back up to the previous screen, and "q" to exit the pager. If gmshelp does not work, ask the person who installed GAMESS to fix the 'gmshelp' script, as it is extremely useful. The order of this section is chosen to approximate the order in which most people prepare their Input ($CONTRL, $BASIS/$DATA, $GUESS, and so on).
Input Description 2-2 * name function module:routine ---- ----- ----- Molecule, basis set, wavefunction specification:
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