qs_dispersion_cnum.F File Reference

#include "./base/base_uses.f90"

Go to the source code of this file.

Data Types
type	qs_dispersion_cnum::dcnum_type

Modules
module	qs_dispersion_cnum
	Coordination number routines for dispersion pairpotentials.

Functions/Subroutines
subroutine, public	qs_dispersion_cnum::setr0ab (rout, rcov, r2r4)
	...
subroutine, public	qs_dispersion_cnum::setrcov (rcov)
	...
subroutine, public	qs_dispersion_cnum::setcn (cnout)
	...
subroutine, public	qs_dispersion_cnum::seten (enout)
	...
subroutine, public	qs_dispersion_cnum::dcnum_distribute (dcnum, para_env)
	...
real(kind=dp) function, public	qs_dispersion_cnum::get_cn_radius (dispersion_env)
	...
subroutine, public	qs_dispersion_cnum::d3_cnumber (qs_env, dispersion_env, cnumbers, dcnum, exclude, atomnumber, derivatives, cnfun)
	...
subroutine, public	qs_dispersion_cnum::exclude_d3_kind_pair (exclude_list, za, zb, zc, exclude)
	...
subroutine, public	qs_dispersion_cnum::cnumber_init (qs_env, cnumbers, dcnum, ftype, derivatives, disp_env)
	...
subroutine, public	qs_dispersion_cnum::cnumber_release (cnumbers, dcnum, derivatives)
	...