vdw_ts.F90 File Reference

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Modules
module	vdw_ts_oct_m
	Tkatchenko-Scheffler pairwise method for van der Waals (vdW, dispersion) interactions.

Data Types
type	vdw_ts_oct_m::vdw_ts_t

Functions/Subroutines
subroutine, public	vdw_ts_oct_m::vdw_ts_init (this, namespace, ions)
subroutine, public	vdw_ts_oct_m::vdw_ts_end (this)
subroutine, public	vdw_ts_oct_m::vdw_ts_calculate (this, namespace, space, latt, atom, natoms, pos, mesh, nspin, density, energy, potential, force)
	Calculate the potential for the Tatchenko-Scheffler vdW correction as described in Phys. Rev. Lett. 102 073005 (2009). More...
subroutine, public	vdw_ts_oct_m::vdw_ts_force_calculate (this, force_vdw, ions, mesh, nspin, density)
subroutine, public	vdw_ts_oct_m::vdw_ts_write_c6ab (this, ions, dir, fname, namespace)
subroutine	vdw_ts_oct_m::get_vdw_param (namespace, atom, c6, alpha, r0)