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upstream/2021.1

Tree @upstream/2021.1 (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