dipole Module

  1. dipole.f90
  2. dipole

  • Uses:

  • konstanter
  • helpers
  • type_crystalstructure
  • type_forceconstant_secondorder
  • type_forcemap
  • type_mdsim
  • quadratures_stencils
module~~dipole~~UsesGraph module~dipole dipole type_forcemap type_forcemap type_forcemap->module~dipole type_mdsim type_mdsim type_mdsim->module~dipole helpers helpers helpers->module~dipole quadratures_stencils quadratures_stencils quadratures_stencils->module~dipole konstanter konstanter konstanter->module~dipole type_crystalstructure type_crystalstructure type_crystalstructure->module~dipole type_forceconstant_secondorder type_forceconstant_secondorder type_forceconstant_secondorder->module~dipole
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module~~dipole~~UsesGraph module~dipole dipole type_forcemap type_forcemap type_forcemap->module~dipole type_mdsim type_mdsim type_mdsim->module~dipole helpers helpers helpers->module~dipole quadratures_stencils quadratures_stencils quadratures_stencils->module~dipole konstanter konstanter konstanter->module~dipole type_crystalstructure type_crystalstructure type_crystalstructure->module~dipole type_forceconstant_secondorder type_forceconstant_secondorder type_forceconstant_secondorder->module~dipole
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Subroutines

public subroutine histfit(sim)

write(,) 'bb',beta1,beta2

Arguments

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

force-displacement data

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

remove longrange interactions

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




© 2018
TDEP was developed by Olle Hellman & Nina Shulumba
Documentation generated by FORD