qs_force_types::qs_force_type Type Reference

Data Fields
real(kind=dp), dimension(:, :), pointer	all_potential
real(kind=dp), dimension(:, :), pointer	core_overlap
real(kind=dp), dimension(:, :), pointer	gth_ppl
real(kind=dp), dimension(:, :), pointer	gth_nlcc
real(kind=dp), dimension(:, :), pointer	gth_ppnl
real(kind=dp), dimension(:, :), pointer	kinetic
real(kind=dp), dimension(:, :), pointer	overlap
real(kind=dp), dimension(:, :), pointer	overlap_admm
real(kind=dp), dimension(:, :), pointer	rho_core
real(kind=dp), dimension(:, :), pointer	rho_elec
real(kind=dp), dimension(:, :), pointer	rho_lri_elec
real(kind=dp), dimension(:, :), pointer	vhxc_atom
real(kind=dp), dimension(:, :), pointer	g0s_vh_elec
real(kind=dp), dimension(:, :), pointer	repulsive
real(kind=dp), dimension(:, :), pointer	dispersion
real(kind=dp), dimension(:, :), pointer	gcp
real(kind=dp), dimension(:, :), pointer	other
real(kind=dp), dimension(:, :), pointer	ch_pulay
real(kind=dp), dimension(:, :), pointer	fock_4c
real(kind=dp), dimension(:, :), pointer	ehrenfest
real(kind=dp), dimension(:, :), pointer	efield
real(kind=dp), dimension(:, :), pointer	eev
real(kind=dp), dimension(:, :), pointer	mp2_non_sep
real(kind=dp), dimension(:, :), pointer	total

Detailed Description

Definition at line 28 of file qs_force_types.F.

Field Documentation

all_potential

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::all_potential

Definition at line 29 of file qs_force_types.F.

core_overlap

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::core_overlap

Definition at line 29 of file qs_force_types.F.

gth_ppl

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::gth_ppl

Definition at line 29 of file qs_force_types.F.

gth_nlcc

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::gth_nlcc

Definition at line 29 of file qs_force_types.F.

gth_ppnl

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::gth_ppnl

Definition at line 29 of file qs_force_types.F.

kinetic

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::kinetic

Definition at line 29 of file qs_force_types.F.

overlap

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::overlap

Definition at line 29 of file qs_force_types.F.

overlap_admm

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::overlap_admm

Definition at line 29 of file qs_force_types.F.

rho_core

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::rho_core

Definition at line 29 of file qs_force_types.F.

rho_elec

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::rho_elec

Definition at line 29 of file qs_force_types.F.

rho_lri_elec

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::rho_lri_elec

Definition at line 29 of file qs_force_types.F.

vhxc_atom

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::vhxc_atom

Definition at line 29 of file qs_force_types.F.

g0s_vh_elec

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::g0s_vh_elec

Definition at line 29 of file qs_force_types.F.

repulsive

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::repulsive

Definition at line 29 of file qs_force_types.F.

dispersion

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::dispersion

Definition at line 29 of file qs_force_types.F.

gcp

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::gcp

Definition at line 29 of file qs_force_types.F.

other

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::other

Definition at line 29 of file qs_force_types.F.

ch_pulay

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::ch_pulay

Definition at line 29 of file qs_force_types.F.

fock_4c

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::fock_4c

Definition at line 29 of file qs_force_types.F.

ehrenfest

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::ehrenfest

Definition at line 29 of file qs_force_types.F.

efield

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::efield

Definition at line 29 of file qs_force_types.F.

eev

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::eev

Definition at line 29 of file qs_force_types.F.

mp2_non_sep

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::mp2_non_sep

Definition at line 29 of file qs_force_types.F.

total

real(kind=dp), dimension(:, :), pointer qs_force_types::qs_force_type::total

Definition at line 29 of file qs_force_types.F.

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The documentation for this type was generated from the following file:

• qs_force_types.F