Gaussian 09W Reference The Edit Batch List Window The Edit Batch List window is used to create and modify batch control files,which have the extension.BCF.The Gaussian 09W batch processing facility is a mechanism for sequentially executing multiple Gaussian 09 input files automatically. Batch control files may be edited from this window or using any text editor.If you prefer to use a text editor,follow the format described in the next section.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. Batch Control File Format A batch control file has the following format: ！Benzene batch file ！Start=n input filel,output filel input_file2,output_file2 The first line of the file specifies which job within the file to start with,indicated by the integer n.Numbering begins at 1.Note also that n refers to the nth job within the file,not the nth line.We recommend that a single Start line be placed at the beginning of the file.However,if more than one Start line appears,then the last one will take precedence over all others.If no Start line appears in the file,then execution begins with the first job. Additional comments may be included within the file by placing an exclamation point in their first column.Blank lines within the file are also ignored.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. Here is a sample batch control file containing six jobs,set to begin with the second job: RMP4/6-31G**energies ！Start=2 Water.GJF,Water.Out Methane.GJF,Methane.Out ！This job is quite long Porphin.GJF,Porphin.Out Benzene.GJF,Benzene.Out Carbony1.GJF,Carbony1.Out Silicon.GJF,Silicon.Out Editing a Batch Control File The Edit Batch List window allows you to edit a batch control file from within Gaussian 09W: File menu ■Edit Batch Control List Batch control filename C.Wobs到Tests.bd Input File Output File Input e output file lists Control buttons -Add Delete Reorder Set Start Exit You can change the name of any existing component by double clicking on it and then editing it within the window that appears.The various menu items and buttons are described individually below. 10The Edit Batch List Window The Edit Batch List window is used to create and modify batch control files, which have the extension .BCF. The Gaussian 09W batch processing facility is a mechanism for sequentially executing multiple Gaussian 09 input files automatically. Batch control files may be edited from this window or using any text editor. If you prefer to use a text editor, follow the format described in the next section. 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. Batch Control File Format A batch control file has the following format: ! Benzene batch file ! Start=n input_file1, output_file1 input_file2, output_file2 ... The first line of the file specifies which job within the file to start with, indicated by the integer n. Numbering begins at 1. Note also that n refers to the nth job within the file, not the nth line. We recommend that a single Start line be placed at the beginning of the file. However, if more than one Start line appears, then the last one will take precedence over all others. If no Start line appears in the file, then execution begins with the first job. Additional comments may be included within the file by placing an exclamation point in their first column. Blank lines within the file are also ignored. 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. Here is a sample batch control file containing six jobs, set to begin with the second job: ! RMP4/6-31G** energies ! Start=2 Water.GJF, Water.Out Methane.GJF, Methane.Out ! This job is quite long. Porphin.GJF, Porphin.Out Benzene.GJF, Benzene.Out Carbonyl.GJF, Carbonyl.Out Silicon.GJF, Silicon.Out Editing a Batch Control File The Edit Batch List window allows you to edit a batch control file from within Gaussian 09W: You can change the name of any existing component by double clicking on it and then editing it within the window that appears. The various menu items and buttons are described individually below. Gaussian 09W Reference 10