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qs_dispersion_utils.F File Reference

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Modules

module  qs_dispersion_utils
 Set disperson types for DFT calculations.
 

Functions/Subroutines

subroutine, public qs_dispersion_utils::qs_dispersion_env_set (dispersion_env, xc_section)
 ...
 
subroutine, public qs_dispersion_utils::qs_write_dispersion (qs_env, dispersion_env, ounit)
 ...
 
integer function, public qs_dispersion_utils::cellhash (cell, ncell)
 ...