g16 Command Line Options

OptionsEquivalencies [wonderplugin_tab_content] Command Line Options The g16 command accepts the following options on all platforms:...

Gaussian Interface Code Open-Source Public License, v. 1.0

Based on the Mozilla Public License version 2.0 1. Definitions 1.1. “CONTRIBUTOR” means each individual or legal entity that creates, contributes to the creation of, or owns Covered Software. 1.2. “CONTRIBUTION” means Covered Software of a...

Using GPUs

Using GPUs Gaussian 16 can use NVIDIA K40, K80, P100 (Rev. B.01) and V100 (Rev. C.01) GPUs under Linux. Earlier GPUs do not have the computational capabilities or memory size to run the algorithms in Gaussian 16. Allocating Memory for Jobs Allocating sufficient...

Lines in a ModRedundant input section use the following syntax: [Type] N1 [N2 [N3 [N4]]] [A | F] [Type] N1 [N2 [N3 [N4]]] B [Type] N1 [N2 [N3 [N4]]] K | R [Type] N1 [N2 [N3 [N4]]] D [Type] N1 [N2 [N3 [N4]]] H diag-elem [Type] N1 [N2 [N3 [N4]]] S nsteps stepsize N1,...

ReadIsotopes This option allows you to specify alternatives to the default temperature, pressure, frequency scale factor and/or isotopes—298.15 K, 1 atmosphere, no scaling, and the most abundant isotopes (respectively). It is useful when you want to rerun an...

Interfacing to Gaussian 16 (v2)

IntroDescriptionMatrix Elem. FileFChk FileExample FChk FileLicenseDownloadRelease History Introduction This documentation covers version 2 of the interfacing files. See “Release History” for information about changes from earlier versions. There are a...