WebLine 2: (blank) Line 2 is blank for many calculations. It can be used to specify a checkpoint file name or memory allocation. Line 3: "#n test rohf/sto-3g pop=full GFINPUT" Line 3 is called the route card. It specifies what type of calculation to do and what to calculate and output. The line always starts with "#". http://sobereva.com/g09/m_input.htm
Gaussian syntax error on the input line - Chemistry Stack Exchange
WebMar 5, 2013 · To quote the Single Unix Specification, §3.170, a filename is: A name consisting of 1 to {NAME_MAX} bytes used to name a file. The characters composing the name may be selected from the set of all character values excluding the character and the null byte. So, it must consist of at least 1 byte, i.e., not empty. WebNov 8, 2005 · Keywords and options specifying details for a PCM calculation (SCRF=PCM, CPCM or IEFPCM) may be specified in an additional blank-line terminated input section provided that the Read option is also specified. Keywords within this section follow general Gaussian input rules. The available keywords are listed in a separate subsection … cbs tv schedule for wednesday night
File input and output — ASE documentation - DTU
WebFeb 19, 2024 · Gaussian 16 input consists of a series of lines in an ASCII text file. The basic structure of a Gaussian input file includes several different sections: Link 0 … Last updated on: 02 May 2024. [G16 Rev. C.01] Quick Links. Basis Sets; Density … WebOct 14, 2015 · Reading matrix from txt file to do Gaussian Elimination (C++) So I'm trying to read a matrix A from a text file, which it does correctly. A vector B is entered by the … WebMar 28, 2024 · You would specify EPS and EPSInf in the additional SCRF input section after the blank line which terminates the structure input. For example: {%chk=} #P {Method, … cbs tv schedule madison wisconsin