Functions/Subroutines
subroutine, public	dbg_energy_coulomb_lr (energy, ks_matrix, nspins, qs_env, matrix_p, calculate_forces, store_int_env)
	Debug routine for long-range energy (debug value of EWALD vs VALUE KS)

Function/Subroutine Documentation

◆ dbg_energy_coulomb_lr()

subroutine, public se_fock_matrix_dbg::dbg_energy_coulomb_lr	(	type(qs_energy_type), pointer	energy,
		type(dbcsr_p_type), dimension(:), pointer	ks_matrix,
		integer, intent(in)	nspins,
		type(qs_environment_type), pointer	qs_env,
		type(dbcsr_p_type), dimension(:), pointer	matrix_p,
		logical, intent(in)	calculate_forces,
		type(semi_empirical_si_type), pointer	store_int_env
	)

Debug routine for long-range energy (debug value of EWALD vs VALUE KS)

Parameters

Definition at line 41 of file se_fock_matrix_dbg.F.

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