subtract_longrange_interactions Subroutine

Description

remove longrange interactions

public subroutine subtract_longrange_interactions(sim, map, uc, ss)

Arguments

Type IntentOptional AttributesName
type(lo_mdsim), intent(inout) :: sim

force-displacement data

type(lo_forcemap), intent(in) :: map

forcemap

type(lo_crystalstructure), intent(inout) :: uc

unitcell

type(lo_crystalstructure), intent(inout) :: ss

supercell

Calls

proc~~subtract_longrange_interactions~~CallsGraph proc~subtract_longrange_interactions subtract_longrange_interactions lo_truentimes lo_truentimes proc~subtract_longrange_interactions->lo_truentimes lo_frobnorm lo_frobnorm proc~subtract_longrange_interactions->lo_frobnorm lo_progressbar lo_progressbar proc~subtract_longrange_interactions->lo_progressbar lo_allocate lo_allocate proc~subtract_longrange_interactions->lo_allocate lo_progressbar_init lo_progressbar_init proc~subtract_longrange_interactions->lo_progressbar_init walltime walltime proc~subtract_longrange_interactions->walltime
Help