grimme-lab / mctc-lib

Modular computation tool chain library
https://grimme-lab.github.io/mctc-lib
Apache License 2.0
15 stars 17 forks source link

Description #20

Closed Beliavsky closed 2 years ago

Beliavsky commented 3 years ago

I'd like to add "Modular computation tool chain library" to the Fortran Code on GitHub list under Computational Chemistry but am unsure how to describe it in 1 or 2 sentences.

awvwgk commented 3 years ago

How about:

Common tool chain to molecular structure data in various applications. This library provides a unified way to perform operations on molecular structure data, like reading and writing to common geometry file formats.

from the FORD documentation.

Beliavsky commented 3 years ago

Thanks. In the first sentence there should be a verb before "molecular", such as "use" or "access".