Cubegen manual

 · Description. Gaussian includes a standalone utility for generating cubes from the data in a formatted checkpoint file (equivalent to the previous Cube keyword). The utility is named cubegen, and it has the following syntax: cubegen nprocs kind fchkfile cubefile npts format cubefile2. The parameters, which are not case-sensitive, have the Missing: manual. Overview¶. The CUBE file format is described on the Gaussian webpage as part of the documentation of the cubegen www.doorway.ru noted there, all data in CUBE files MUST be stored in atomic units (electrons and Bohrs, and units derived from these). The format specification on the webpage of the VMD visualization program provides a cleaner layout of one possible arrangement of CUBE file www.doorway.rug: manual. Below is an extract from the Gaussian online manual on how to use the cubegen program. cubegen. Gaussian includes a standalone utility for generating cubs from the data in a formatted checkpoint file (equivalent to the previous Cube keyword). The utility is named cubegen, and it has the following syntax: cubegen memory kind fchkfile cubefile npts format.

Description. Gaussian includes a standalone utility for generating cubes from the data in a formatted checkpoint file (equivalent to the previous Cube keyword). The utility is named cubegen, and it has the following syntax: cubegen nprocs kind fchkfile cubefile npts format cubefile2. The parameters, which are not case-sensitive, have the. Utility Programs. Most utilities are available for both UNIX and Windows versions of Gaussian. However, be sure to consult the release notes accompanying the program for information pertaining to specific operating systems. The GAUSS_MEMDEF environment variable may be used to increase the memory available to utilities. cubegen 0 fdensity=scf www.doorway.ru www.doorway.ru -5 h cube of the molecule. However, the www.doorway.ru file fails to visualise any total electron density in visualisation software.

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