(git:58e3e09)
kg_correction.F File Reference

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Modules

module  kg_correction
 Routines for a Kim-Gordon-like partitioning into molecular subunits.
 

Functions/Subroutines

subroutine, public kg_correction::kg_ekin_subset (qs_env, ks_matrix, ekin_mol, calc_force, do_kernel, pmat_ext)
 Calculates the subsystem Hohenberg-Kohn kinetic energy and the forces. More...