qs_dispersion_pairpot.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_dispersion_pairpot::dcnum_type

Modules
module	qs_dispersion_pairpot
	Calculation of dispersion using pair potentials.

Functions/Subroutines
subroutine, public	qs_dispersion_pairpot::qs_dispersion_pairpot_init (atomic_kind_set, qs_kind_set, dispersion_env, pp_section, para_env)
	...
subroutine, public	qs_dispersion_pairpot::qs_dispersion_setcn (atomic_kind_set, qs_kind_set, dispersion_env, para_env)
	...
subroutine, public	qs_dispersion_pairpot::qs_scaling_init (scaling, vdw_section)
	...
subroutine, public	qs_dispersion_pairpot::qs_scaling_dftd3 (s6, sr6, s8, vdw_section)
	...
subroutine, public	qs_dispersion_pairpot::qs_scaling_dftd3bj (s6, a1, s8, a2, vdw_section)
	...
subroutine, public	qs_dispersion_pairpot::calculate_dispersion_pairpot (qs_env, dispersion_env, energy, calculate_forces, atevdw)
	...
subroutine, public	qs_dispersion_pairpot::dcnum_distribute (dcnum, para_env)
	...
subroutine, public	qs_dispersion_pairpot::d3_cnumber (qs_env, dispersion_env, cnumbers, dcnum, ghost, floating, atomnumber, calculate_forces, debugall)
	...