This repository contains resources needed for testing cc4s.
If you are going to add a system, please make sure to add one system per directory together with a README file that includes the following information
- Description
-
Give a short (or long) description of the system that is presented.
This includes for instance
- the name of the system
- basis set
- Number of occupied orbitals
- Number of virtual orbitals
- which code was used to obtain the main files
- Code blocks
-
A code block with the script or input file used to generate it.
This code block can be as long as necessary and many code blocks
can be used.
Please use either markdown or org to write this README, i.e.
write either
README.mdorREADME.org, as these are widely used and support code block notation.