qs_dispersion_d4 Module Reference

Calculation of dispersion using pair potentials. More...

Functions/Subroutines
subroutine, public	calculate_dispersion_d4_pairpot (qs_env, dispersion_env, evdw, calculate_forces, iw, atomic_energy)
	...

Detailed Description

Calculation of dispersion using pair potentials.

Author

Johann Pototschnig

Function/Subroutine Documentation

calculate_dispersion_d4_pairpot()

subroutine, public qs_dispersion_d4::calculate_dispersion_d4_pairpot	(	type(qs_environment_type), pointer	qs_env,
		type(qs_dispersion_type), intent(in), pointer	dispersion_env,
		real(kind=dp), intent(inout)	evdw,
		logical, intent(in)	calculate_forces,
		integer, intent(in)	iw,
		real(kind=dp), dimension(:), optional	atomic_energy
	)

...

Parameters

qs_env	...
dispersion_env	...
evdw	...
calculate_forces	...
iw	...
atomic_energy	...

Definition at line 593 of file qs_dispersion_d4.F.

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