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Blank lines

The first line gen (route section) tells the system that we want to define our own function. The lines 2, 3, and 4 are a blank line, program label (for human readers), and a blank line. The next line that is read by the system is 0 2, specifying that the ground state of H has a 0 charge and is a spin doublet (one unpaired election). The next line, h, specifies hydrogen, followed by a blank. [Pg.244]

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]

Line 3 There must be a blank line between the list of atoms and the list of variables. [Pg.73]

Line 8 The second blank line sets aside variables that are not to be optimized in the geometry optimization. [Pg.74]

These rules are executed in order until a set of rules is satisfied. If all the rules fail then the last default type OS is assigned. The tests on neighboring lines are AND ed together and sets of tests (clauses) separated by blank lines are OR ed. [Pg.172]

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]

If an optimization tuns out of steps, do not blindly assume that increasing the number of steps will fix the problem. Examine the output and determine whether the optimization was making progress or not. For example this command will provide a quick summary of an optimization s progress on a UNIX system (blank lines ate added for readability) ... [Pg.48]

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]

The route section may extend over more than one line if necessary. Only the first line need b in with a pound sign, although any others may. The route section is terminated by a blank line. [Pg.286]

The title section consists of one or more lines of descriptive information about the job. It is included in the output and in the archive entry but is not otherwise used by Gaussian. This section is terminated by a blank line. [Pg.286]

Note that there are no blank lines within the Z-matrix, despite its appearance here. The extra spacing in this example is simply an artifact of the commentary. [Pg.290]

This file introduces the concept of variables within the molecule specification. Here, variables are simply named constants variable names are substituted for literal values within the Z-matrix, and their values are defined in a separate section following it. The two sections are separated by a blank line, or a line with a blank in the first column and the label Variables placed elsewhere on it (this is one exception Gaussian makes in its requirement for completely blank lines). ... [Pg.291]

Blank line ending the molecule specification section Starts a new job step... [Pg.294]

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]

Next, enter a blank line into the file, followed by a one-line description of the calculation. [Pg.323]

Enter another blank line after the title section, followed by these four lines ... [Pg.323]

CREATE SYSTEM AND TERM USED AS AN INDEX FOR INSERTING BLANK LINES AND PAGE BREAKS IN THE DATA NULL BELOW. length system and term 200 system and term = aebodsys aedecod ... [Pg.157]

OTHERWISE IF AT THE END OF A PREFERRED TERM PUT A BLANK LINE. if eof then... [Pg.158]

After this, there is a blank line and then a line which indicates the name of the job, in this case, alanine. ... [Pg.8]

Which sentence, if inserted into the blank line in the passage, would be most consistent with the writer s purpose and intended audience ... [Pg.64]

Which of the following sentences, if inserted into the blank line, would best sum up the first paragraph and lead into the next. [Pg.70]

Follow your closing with four blank lines. Then, type your full name. Beneath your typed name, type your full title. If you plan to mail, fax, or hand-deliver a hard copy of your letter, you should sign your name in the space between your closing and your typed full name. Sometimes, letters are sent electronically—in this case, it is not necessary to sign your name. [Pg.173]

Body paragraphs are single spaced. They are separated from one another by a blank line. [Pg.175]

This protocol provides spaces to record entries. All entries required should be made and dated at the time they are performed. Questions that do not apply should be marked NA, initialed and dated all blank spaces should be marked NA large areas consisting of multiple blank lines should be lined through and marked NA. Results generated in or related to this activity should be properly documented and/or attached to this protocol. [Pg.314]

Blanks, lines, or spaces for recording data or comments that were not used when the... [Pg.93]

If you have made these command buttons and have added the VB code as shown, activate a VB run and try writing a new line of data on your file in the text box, txtContent. Notice the Enter at the end of a line brings up a new line of data you may install. A Delete key at the beginning of this blank line will also delete the blank line. You can also delete any selection of data simply by highlighting it with your mouse and then pressing Delete. No data changes are made to the file FLSHDAT, however, until you click the Save command button. [Pg.370]

Prints a blank line for making a line space on the printed page. [Pg.390]

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]

Sets Level as HF, Basis as STO-3G, and scans Re) (Blank line)... [Pg.82]

A blank line should be left between each logical section in the source code to aid readability. [Pg.229]

White Space Blank lines of code that have been purposely inserted into the software listing to make it easier to read. [Defined for this book.]... [Pg.949]

You can use a scanner and a software program that performs optical character recognition to create a data file from hard copy. Once imported into Excel, the data may have to be manipulated to get it into a useable form. The following example shows how to record a simple Excel macro for converting scarmed data with blank lines and other undesired features into useful columnar data. [Pg.151]


See other pages where Blank lines is mentioned: [Pg.240]    [Pg.297]    [Pg.299]    [Pg.324]    [Pg.672]    [Pg.8]    [Pg.35]    [Pg.75]    [Pg.103]    [Pg.133]    [Pg.8]    [Pg.82]   
See also in sourсe #XX -- [ Pg.285 ]




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Blank

Blank, blanking

Blanking

Input blank lines

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