Various bash scripts to aid the use of the quantum chemistry software package Gaussian 09.
-
Updated
May 1, 2019 - Shell
#
gaussian09
Here are 3 public repositories matching this topic...
Make Gaussian 09 input files for the Rotamers of a given compound.
-
Updated
Jul 16, 2021 - Python
Fortran script for IRC using Freq calculation provide by Gaussian16
-
Updated
Dec 21, 2022 - Fortran
Improve this page
Add a description, image, and links to the gaussian09 topic page so that developers can more easily learn about it.
Add this topic to your repo
To associate your repository with the gaussian09 topic, visit your repo's landing page and select "manage topics."