mixed_environment_types::mixed_environment_type Type Reference

Data Fields
type(cell_type), pointer	cell_ref => NULL()
type(mixed_energy_type), pointer	mixed_energy => NULL()
type(mp_para_env_type), pointer	para_env => NULL()
type(cp_subsys_type), pointer	subsys => NULL()
type(section_vals_type), pointer	input => NULL()
real(kind=dp), dimension(:), pointer	energies => NULL()
integer	ngroups = -1
integer, dimension(:), pointer	group_distribution => NULL()
type(mp_para_env_p_type), dimension(:), pointer	sub_para_env => NULL()
type(cp_logger_p_type), dimension(:), pointer	sub_logger => NULL()
real(kind=dp), dimension(:), pointer	val => NULL()
character(len=default_string_length), dimension(:), pointer	par => NULL()
real(kind=dp)	dx = 0.0_dp
real(kind=dp)	lerr = 0.0_dp
character(default_path_length)	coupling_function = ""
logical	do_mixed_cdft = .FALSE.
logical	do_mixed_et = .FALSE.
logical	do_mixed_qmmm_cdft = .FALSE.
integer	et_freq = -1
real(kind=dp), dimension(:, :), pointer	strength => NULL()
type(mixed_cdft_type), pointer	cdft_control => NULL()
type(qs_rho_p_type), dimension(:), allocatable	subsys_dens

Detailed Description

Parameters

mixed_env

the pointer to the mixed_env

History

11/06 Created [fschiff] 12/15-12/16 Mixed CDFT [Nico Holmberg]

Definition at line 64 of file mixed_environment_types.F.

Field Documentation

cell_ref

type(cell_type), pointer mixed_environment_types::mixed_environment_type::cell_ref => NULL()

Definition at line 65 of file mixed_environment_types.F.

mixed_energy

type(mixed_energy_type), pointer mixed_environment_types::mixed_environment_type::mixed_energy => NULL()

Definition at line 66 of file mixed_environment_types.F.

para_env

type(mp_para_env_type), pointer mixed_environment_types::mixed_environment_type::para_env => NULL()

Definition at line 67 of file mixed_environment_types.F.

subsys

type(cp_subsys_type), pointer mixed_environment_types::mixed_environment_type::subsys => NULL()

Definition at line 68 of file mixed_environment_types.F.

input

type(section_vals_type), pointer mixed_environment_types::mixed_environment_type::input => NULL()

Definition at line 69 of file mixed_environment_types.F.

energies

real(kind=dp), dimension(:), pointer mixed_environment_types::mixed_environment_type::energies => NULL()

Definition at line 70 of file mixed_environment_types.F.

ngroups

integer mixed_environment_types::mixed_environment_type::ngroups = -1

Definition at line 72 of file mixed_environment_types.F.

group_distribution

integer, dimension(:), pointer mixed_environment_types::mixed_environment_type::group_distribution => NULL()

Definition at line 73 of file mixed_environment_types.F.

sub_para_env

type(mp_para_env_p_type), dimension(:), pointer mixed_environment_types::mixed_environment_type::sub_para_env => NULL()

Definition at line 74 of file mixed_environment_types.F.

sub_logger

type(cp_logger_p_type), dimension(:), pointer mixed_environment_types::mixed_environment_type::sub_logger => NULL()

Definition at line 75 of file mixed_environment_types.F.

val

real(kind=dp), dimension(:), pointer mixed_environment_types::mixed_environment_type::val => NULL()

Definition at line 76 of file mixed_environment_types.F.

par

character(len=default_string_length), dimension(:), pointer mixed_environment_types::mixed_environment_type::par => NULL()

Definition at line 77 of file mixed_environment_types.F.

dx

real(kind=dp) mixed_environment_types::mixed_environment_type::dx = 0.0_dp

Definition at line 79 of file mixed_environment_types.F.

lerr

real(kind=dp) mixed_environment_types::mixed_environment_type::lerr = 0.0_dp

Definition at line 79 of file mixed_environment_types.F.

coupling_function

character(default_path_length) mixed_environment_types::mixed_environment_type::coupling_function = ""

Definition at line 80 of file mixed_environment_types.F.

do_mixed_cdft

logical mixed_environment_types::mixed_environment_type::do_mixed_cdft = .FALSE.

Definition at line 82 of file mixed_environment_types.F.

do_mixed_et

logical mixed_environment_types::mixed_environment_type::do_mixed_et = .FALSE.

Definition at line 82 of file mixed_environment_types.F.

do_mixed_qmmm_cdft

logical mixed_environment_types::mixed_environment_type::do_mixed_qmmm_cdft = .FALSE.

Definition at line 82 of file mixed_environment_types.F.

et_freq

integer mixed_environment_types::mixed_environment_type::et_freq = -1

Definition at line 84 of file mixed_environment_types.F.

strength

real(kind=dp), dimension(:, :), pointer mixed_environment_types::mixed_environment_type::strength => NULL()

Definition at line 85 of file mixed_environment_types.F.

cdft_control

type(mixed_cdft_type), pointer mixed_environment_types::mixed_environment_type::cdft_control => NULL()

Definition at line 86 of file mixed_environment_types.F.

subsys_dens

type(qs_rho_p_type), dimension(:), allocatable mixed_environment_types::mixed_environment_type::subsys_dens

Definition at line 88 of file mixed_environment_types.F.

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

• mixed_environment_types.F