Control ButtonsĪdds a new entry to the bottom of the list. Return to the Job Processing window (after prompting for any needed saves). Save the current batch list to a filename that you specify. Save the current batch list to its original file (you will be prompted for the filename if this is a new list). The File menu allows you to create and save batch control files.Ĭreate a new batch list (clearing any current list or other input from memory). The various menu items and buttons are described individually below. You can change the name of any existing component by double clicking on it and then editing it within the window that appears. The Edit Batch List window allows you to edit a batch control file from within Gaussian 16W: Silicon.GJF, Silicon.Out Editing a Batch Control File Here is a sample batch control file containing six jobs, set to begin with the second job: ! RMP4/6-31G** energies If you later modify a batch control file containing comments and/or blank lines with the internal editing facility described in the next section, these lines will be stripped from the file when it is saved. Blank lines within the file are also ignored. If no Start line appears in the file, then execution begins with the first job.Īdditional comments may be included within the file by placing an exclamation point in their first column. However, if more than one Start line appears, then the last one will take precedence over all others. We recommend that a single Start line be placed at the beginning of the file. Note also that n refers to the nth job within the file, not the nth line.

The first line of the file specifies which job within the file to start with, indicated by the integer n. Batch Control File FormatĪ batch control file has the following format: ! Benzene batch file Existing batch control files can be loaded with the Open… option from the File menu in the Job Processing window, or from the Edit Batch List window’s File menu. If you prefer to use a text editor, follow the format described in the next section. The Gaussian 16W batch processing facility is a mechanism for sequentially executing multiple Gaussian 16 input files automatically.īatch control files may be edited from this window or using any text editor. The Edit Batch List window is used to create and modify batch control files, which have the extension. Gaussian 16W Reference The Edit Batch List Window

How to edit a batch file