INDO_cn

描述可用性例子 描述 请求使用请求使用[Pople67]进行半经验计算。...

Using GPUs

This page provides information about using GPUs with Gaussian.

Running Gaussian

This page provides information about the sytem requirements for running Gaussian 25, along with detailed information about running Gaussian under UNIX, the scratch files used in the course of Gaussian’s computation, and the dynamic memory used by Gaussian.

g16 Command Line Options

This section provides a list of command line options for the g25 command.

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...

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,...