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Input blank lines

The first line in File 9-1 is the route section calling for a PM.3 optimization. The next three lines are a blank line, a program label (human input not read by the system), and a blank line. The input (J I indicates that the charge on the molecule is 0 and the spin multiplicity is I (paired electrons). The starting geometry is given in... [Pg.292]

The keyword is in the route section, line 1 of the input file. Lines 2, 3, and 4 are blank, comment, blank, respectively. Line 5 designates a charge of 1 and a spin multiplicity of 2 (a doublet). Line 6 specifies one atom as hydrogen, and line 7 specifies the second atom as hydrogen, attached to atom 1 at a distance of 1.32 A(2.49 bohr). Among several G2 energies printed out in about the last 25 lines of output are... [Pg.307]

This section of the input file consists of one or more lines describing the calculation in any way that the user desires. It often consists of just one line, and the section ends with a blank line. [Pg.15]

You can specify a different temperature, pressure, and/or set of isotopes for the thermochemical analysis by specifying the Readlsolopes option to the Frecj keyword in the route section. Values for all parameters must then be specified in a separate input section following the molecule specification—and separated from it by a blank line. [Pg.67]

The SCRf keyword in the route section of a Gaussian job requests a calcuJation in the presence of a solvent. SCRF calculations generally require an additional input line following the molecule specification section s terminating blank line, having the following form ... [Pg.239]

Input Section Link 0 Commands Route Section blank line " Title Section blank line... [Pg.285]

Note that the separate input sections are separated from one another by blank lines. These blank lines are inserted automatically into input files created with the Job Entry window in the Windows version and need not be entered by the user. If you choose to create a Gaussian input file using an external Windows editor, however, you must follow the same rules for input as under other versions of Gaussian. [Pg.285]

When placing multiple jobs within a single input file, it is imperative that the final section of each job end with a blank line, a requirement that is not always strictly enforced for single-step jobs. If you want to run a single job from a multistep input file, you must copy the relevant lines to a new file, and then execute Gaussian 94 using the new file. [Pg.295]

This input file computes vibrational frequencies and performs thermochemical analysis at two different temperatures and pressures first at 298.15 K and 1 atmosphere, and then again at 300 K and 2 atmospheres. Note that a blank line must precede the --Linkl — line. [Pg.295]

In Table 1 notice a comma separates discrete inputs. Each line input is for a specific component. The first item is the component s ID, or identification number. The second input on each line is the component s name in an abbreviated text. In sequence, critical pressure, critical temperature, and acentric factor are each input, separated by commas. Do not install any blank spaces. [Pg.374]

The user supplies the name of the data file and defines the region to be listed by character number. He is asked to select printing in either single- or double-stranded form. If he selects double-stranded printing the program creates the complementary strand of the input sequence. He is also asked to select either a 60 or 120 character line output. The program allows (for the 120 character line output) the user to define the number of blank lines he wishes to appear between the sequence lines. [Pg.335]

Many variations on z-matrix input files are possible. For example, Fig. 3.3 can be rewritten in a more compact form by recognizing that the variables R2 and R3 are redundant. There are some arbitrary format requirements peculiar to each program hence there is a learning curve for each one. One compact variation on Fig. 3 is shown in Fig. 3.3a. In this system, the blank line 4 is essential. [Pg.157]

The input file for this calculation consists of only four lines, two of which may be blank MNDO doublet... [Pg.281]

After selecting the MEX command (selection 5) the comma delimited input consists of groups of basic events that are pairwise mutually exclusive. To extend the group to the next and subsequent lines, the first field must be blank. Up to 100 names per group are allowed with a new group starting when a non-blank character is encountered in the first field. The number of pairs that are mutually exclusive is n /[(n-2) 2 ], where n is the number of basic events in the group. An example for the plant blackout fault tree is DG-A-M,DG-B-M,DG-C-M (where means enter). [Pg.242]

It will Ignore unnecessary input and blank or "comment" lines Thus, if a user has been simulating pesticides and then turns that section off, possibly to re-calibrate the hydrology, he does not have to delete the pesticide-related input HSPF will ignore it, until he once again turns the PEST section on. [Pg.144]

Note the use of the blank space for multiplication. Note also that the Factor statement does not have its own input line number, because the Return key was pressed after the Clear statement, not the Enter key. The Simplify statement... [Pg.75]

The data entry opportunity for chemLit occurs when the STORE option is requested in structure entry. ChemLit data are completely text-oriented. A blank area in the work space below the structure is used for text input. Up to 13 lines of input, 79 characters per line, are available, depending upon the amount of space consumed by the structure. How this text space is used is entirely a matter of user choice. It may be used for brief abstracts, descriptions of chemical preparations or reactions, examination questions, and so on. After text is entered, the record is stored in the database, and becomes available for later searches. [Pg.40]

A common application of data compression, which illustrates lossless compression, is the fax machine. This requires a variable bandwidth and some statistical knowledge of the incoming data. A blank page is processed much more quickly than a complicated page, the feed speed dynamically changing as the text detail changes. This adjusts the bandwidth of the scanner input to maintain a fixed 9600 Bd (9.6 kb/s) rate into the telecom line. [Pg.1457]

By utilizing inactive sampling periods (i.e. retrace blanking) the memory input transfer rate may be adjusted between lines 1 and 2. For economical reasons it is desirable to use as low speed memory IC s as possible. 512 pixels per line can be displayed for video signals, if the video bus module and the multi-port memory... [Pg.212]

Reference for cartesians. Any text in columns 1-72. May be blank but a line must be present if the coordinates are read from input (i.e. if ICART=1 or 2). [Pg.181]


See other pages where Input blank lines is mentioned: [Pg.240]    [Pg.452]    [Pg.453]    [Pg.502]    [Pg.103]    [Pg.160]    [Pg.284]    [Pg.44]    [Pg.205]    [Pg.552]    [Pg.42]   
See also in sourсe #XX -- [ Pg.285 ]




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Blank lines

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Blanking

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