thompsonresearchgroup/crc_tools
This commit does not belong to any branch on this repository, and may belong to a fork outside of the repository.
Folders and files
Name | Name | Last commit message | Last commit date | |
---|---|---|---|---|
Repository files navigation
This directory contains tools used for submitting and examining Gaussian and Molpro calculations. Depending on the machine you are on, you will need to soft link the correct gsub and msub. Mac OSX desktop: no need to link gsub or msub, just submit g16 or molpro directly from command line CRC: ln -s gsub-crc gsub ln -s msub-crc msub Llandeilo: ln -s gsub-llandeilo gsub ln -s msub-llandeilo msub
About
Tools for using on the cluster to make life easier. Some of these can be used for analyzing Gaussian outputs on your desktop too.
Resources
Stars
Watchers
Forks
Releases
No releases published
Packages 0
No packages published