qs_cdft_methods.F File Reference

#include "./base/base_uses.f90"

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Modules
module	qs_cdft_methods
	Subroutines for building CDFT constraints.

Functions/Subroutines
subroutine, public	qs_cdft_methods::becke_constraint (qs_env, calc_pot, calculate_forces)
	Driver routine for calculating a Becke constraint.
subroutine, public	qs_cdft_methods::hirshfeld_constraint (qs_env, calc_pot, calculate_forces)
	Driver routine for calculating a Hirshfeld constraint.