Codebase list votca-xtp / upstream/2021 share / xtp
upstream/2021

Tree @upstream/2021 (Download .tar.gz)

Content
=======

This folder contains data and configuration files for the **VOTCA-XTP**
package.

Subfolders
----------

-  **basis\_sets** Basis sets definitions
-  **ecp** Efective Core Potentials data
-  **xml** Input and defaults values for the XTP calculators
-  **data** All the configurable data that do not belong in the previous
   categories