qs_dftb_dispersion Module Reference

Calculation of dispersion in DFTB. More...

Functions/Subroutines
subroutine, public	calculate_dftb_dispersion (qs_env, para_env, calculate_forces)
	...

Detailed Description

Calculation of dispersion in DFTB.

Author

JGH

Function/Subroutine Documentation

calculate_dftb_dispersion()

subroutine, public qs_dftb_dispersion::calculate_dftb_dispersion	(	type(qs_environment_type), pointer	qs_env,
		type(mp_para_env_type), pointer	para_env,
		logical, intent(in)	calculate_forces
	)

...

Parameters

qs_env	...
para_env	...
calculate_forces	...

Definition at line 63 of file qs_dftb_dispersion.F.

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