projects

This directory organizes calculations by different projects under which they were performed:

• fugaku-2024: Contains soft-links to molecules studied under the project fugaku-2024.

• andrea-zen: Contains soft-links to molecules studied under andrea-zen project.

Each symbolic link points to its respective directory within /calculations.

Use the following command to create a symbolic link from the collaboration directory to the materials directory:

In the fugaku-2024 directory:

ln -sfn ../../molecules/000000-caffeine/ fugaku-2024

The directory structure should look like this:

projects/
├── andrea-zen -> ../molecules/000001-C13H18O2
├── fugaku-2024 -> ../molecules/000000-caffeine
└── README.md