xc_libxc_wrap Module Reference

Includes all necessary routines, functions and parameters from libxc. Provides CP2K routines/functions where the LibXC calling list is version dependent (>=4.0.3). The naming convention for such routines/functions is xc_f03_XXX --> 'xc_libxc_wrap_XXX'. All version independent routines/functions are just bypassed to higher level module file 'xc_libxc'. More...

Detailed Description

Includes all necessary routines, functions and parameters from libxc. Provides CP2K routines/functions where the LibXC calling list is version dependent (>=4.0.3). The naming convention for such routines/functions is xc_f03_XXX --> 'xc_libxc_wrap_XXX'. All version independent routines/functions are just bypassed to higher level module file 'xc_libxc'.

History

08.2015 created [A. Gloess (agloess)] 01.2018 refactoring [A. Gloess (agloess)] 10.2018/04.2019 added hyb_mgga [S. Simko, included by F. Stein]

Author

A. Gloess (agloess)