exstates_types::excited_energy_type Type Reference

Contains information on the excited states energy. More...

Data Fields
integer	state = -1
real(kind=dp)	evalue = 0.0_dp
integer	xc_kernel_method = -1
real(kind=dp)	eps_delta_rho = 1.E-02_dp
integer	diff_order = -1
logical	debug_forces = .FALSE.
type(cp_fm_type), dimension(:), pointer	evect => NULL()
type(cp_fm_type), dimension(:), pointer	cpmos => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_pe => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_hz => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_pe_admm => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_px1 => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_px1_admm => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_px1_asymm => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_px1_admm_asymm => NULL()
type(dbcsr_p_type), dimension(:), pointer	matrix_wx1 => NULL()
type(pw_r3d_rs_type)	vh_rspace = pw_r3d_rs_type()
type(pw_r3d_rs_type), dimension(:), pointer	vxc_rspace => NULL()
type(pw_r3d_rs_type), dimension(:), pointer	vtau_rspace => NULL()
type(pw_r3d_rs_type), dimension(:), pointer	vadmm_rspace => NULL()
type(local_rho_type), pointer	local_rho_set => NULL()
type(local_rho_type), pointer	local_rho_set_admm => NULL()
type(wfn_history_type)	wfn_history = wfn_history_type()

Detailed Description

Contains information on the excited states energy.

History

01.2020 created

Author

JGH

Definition at line 54 of file exstates_types.F.

Field Documentation

state

integer exstates_types::excited_energy_type::state = -1

Definition at line 55 of file exstates_types.F.

evalue

real(kind=dp) exstates_types::excited_energy_type::evalue = 0.0_dp

Definition at line 56 of file exstates_types.F.

xc_kernel_method

integer exstates_types::excited_energy_type::xc_kernel_method = -1

Definition at line 57 of file exstates_types.F.

eps_delta_rho

real(kind=dp) exstates_types::excited_energy_type::eps_delta_rho = 1.E-02_dp

Definition at line 58 of file exstates_types.F.

diff_order

integer exstates_types::excited_energy_type::diff_order = -1

Definition at line 59 of file exstates_types.F.

debug_forces

logical exstates_types::excited_energy_type::debug_forces = .FALSE.

Definition at line 60 of file exstates_types.F.

evect

type(cp_fm_type), dimension(:), pointer exstates_types::excited_energy_type::evect => NULL()

Definition at line 61 of file exstates_types.F.

cpmos

type(cp_fm_type), dimension(:), pointer exstates_types::excited_energy_type::cpmos => NULL()

Definition at line 62 of file exstates_types.F.

matrix_pe

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_pe => NULL()

Definition at line 63 of file exstates_types.F.

matrix_hz

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_hz => NULL()

Definition at line 64 of file exstates_types.F.

matrix_pe_admm

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_pe_admm => NULL()

Definition at line 65 of file exstates_types.F.

matrix_px1

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_px1 => NULL()

Definition at line 66 of file exstates_types.F.

matrix_px1_admm

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_px1_admm => NULL()

Definition at line 67 of file exstates_types.F.

matrix_px1_asymm

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_px1_asymm => NULL()

Definition at line 68 of file exstates_types.F.

matrix_px1_admm_asymm

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_px1_admm_asymm => NULL()

Definition at line 69 of file exstates_types.F.

matrix_wx1

type(dbcsr_p_type), dimension(:), pointer exstates_types::excited_energy_type::matrix_wx1 => NULL()

Definition at line 70 of file exstates_types.F.

vh_rspace

type(pw_r3d_rs_type) exstates_types::excited_energy_type::vh_rspace = pw_r3d_rs_type()

Definition at line 71 of file exstates_types.F.

vxc_rspace

type(pw_r3d_rs_type), dimension(:), pointer exstates_types::excited_energy_type::vxc_rspace => NULL()

Definition at line 72 of file exstates_types.F.

vtau_rspace

type(pw_r3d_rs_type), dimension(:), pointer exstates_types::excited_energy_type::vtau_rspace => NULL()

Definition at line 73 of file exstates_types.F.

vadmm_rspace

type(pw_r3d_rs_type), dimension(:), pointer exstates_types::excited_energy_type::vadmm_rspace => NULL()

Definition at line 74 of file exstates_types.F.

local_rho_set

type(local_rho_type), pointer exstates_types::excited_energy_type::local_rho_set => NULL()

Definition at line 75 of file exstates_types.F.

local_rho_set_admm

type(local_rho_type), pointer exstates_types::excited_energy_type::local_rho_set_admm => NULL()

Definition at line 76 of file exstates_types.F.

wfn_history

type(wfn_history_type) exstates_types::excited_energy_type::wfn_history = wfn_history_type()

Definition at line 77 of file exstates_types.F.

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

• exstates_types.F