Go to the source code of this file.
|
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) |
| ...
|
|