I suggest adding topics such as hpc, performance in the About section, as explained at https://docs.github.com/en/repositories/managing-your-repositorys-settings-and-features/customizing-your-repository/classifying-your-repository-with-topics.
In the Readme you could cite the paper "Energy efficiency and performance analysis of a legacy atomic scale materials modeling simulator (VASP)" https://link.springer.com/article/10.1007/s11227-024-06066-0 that uses the library.
I suggest adding topics such as
hpc,performancein the About section, as explained at https://docs.github.com/en/repositories/managing-your-repositorys-settings-and-features/customizing-your-repository/classifying-your-repository-with-topics.In the Readme you could cite the paper "Energy efficiency and performance analysis of a legacy atomic scale materials modeling simulator (VASP)" https://link.springer.com/article/10.1007/s11227-024-06066-0 that uses the library.