Octopus
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Data Types | |
type | local_operator_t |
Functions/Subroutines | |
subroutine | ft (omega, power) |
subroutine | ft2 (omega, power) |
subroutine | local_operator_copy (o, i) |
subroutine | read_resonances_file (order, ffile, namespace, search_interval, final_time, nfrequencies) |
subroutine | analyze_signal (order, omega, search_interval, final_time, nresonances, nfrequencies, damping, namespace) |
subroutine | write_polarizability (namespace, nfrequencies, nresonances, dw, w, c0I2, gamma) |
Implements the SOS formula of the polarizability, and writes down to the "polarizability" file the real and imaginary part of the dynamical polarizability. More... | |
subroutine | find_resonance (omega, leftbound, rightbound, nfrequencies) |
subroutine | resonance_first_order (omega, power, nw_subtracted, dw, leftbound, rightbound) |
subroutine | resonance_second_order (omega, power, nw_subtracted, leftbound, rightbound, c01, c02) |
subroutine | generate_signal (namespace, order, observable) |
subroutine | modify_ot (time_steps, dt, order, ot, omega, power) |
subroutine | write_ot (namespace, nspin, time_steps, dt, kick, order, ot, observable) |
subroutine | read_ot (namespace, nspin, order, nw_subtracted) |
subroutine | print_omega_file (namespace, omega, search_interval, final_time, nfrequencies) |
Variables | |
integer, parameter | sine_transform = 1 |
integer, parameter | cosine_transform = 2 |
integer, dimension(2) | observable |
type(unit_system_t) | units |
real(real64), dimension(:), allocatable | ot |
type(kick_t) | kick |
integer | time_steps |
real(real64) | total_time |
integer | mode |
real(real64) | dt |
subroutine oscillator_strength_oct_m::ft | ( | real(real64), intent(in) | omega, |
real(real64), intent(out) | power | ||
) |
Definition at line 155 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::ft2 | ( | real(real64), intent(in) | omega, |
real(real64), intent(out) | power | ||
) |
Definition at line 190 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::local_operator_copy | ( | type(local_operator_t), intent(inout) | o, |
type(local_operator_t), intent(inout) | i | ||
) |
Definition at line 227 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::read_resonances_file | ( | integer, intent(inout) | order, |
character(len=*), intent(in) | ffile, | ||
type(namespace_t), intent(in) | namespace, | ||
real(real64), intent(inout) | search_interval, | ||
real(real64), intent(in) | final_time, | ||
integer, intent(in) | nfrequencies | ||
) |
Definition at line 250 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::analyze_signal | ( | integer, intent(inout) | order, |
real(real64), intent(inout) | omega, | ||
real(real64), intent(inout) | search_interval, | ||
real(real64), intent(inout) | final_time, | ||
integer, intent(inout) | nresonances, | ||
integer, intent(inout) | nfrequencies, | ||
real(real64), intent(in) | damping, | ||
type(namespace_t), intent(in) | namespace | ||
) |
Definition at line 382 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::write_polarizability | ( | type(namespace_t), intent(in) | namespace, |
integer, intent(in) | nfrequencies, | ||
integer, intent(in) | nresonances, | ||
real(real64), intent(in) | dw, | ||
real(real64), dimension(nresonances), intent(in) | w, | ||
real(real64), dimension(nresonances), intent(in) | c0I2, | ||
real(real64), intent(in) | gamma | ||
) |
Implements the SOS formula of the polarizability, and writes down to the "polarizability" file the real and imaginary part of the dynamical polarizability.
Definition at line 508 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::find_resonance | ( | real(real64), intent(inout) | omega, |
real(real64), intent(in) | leftbound, | ||
real(real64), intent(in) | rightbound, | ||
integer, intent(in) | nfrequencies | ||
) |
Definition at line 550 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::resonance_first_order | ( | real(real64), intent(in) | omega, |
real(real64), intent(out) | power, | ||
integer, intent(in) | nw_subtracted, | ||
real(real64), intent(in) | dw, | ||
real(real64), intent(in) | leftbound, | ||
real(real64), intent(in) | rightbound | ||
) |
Definition at line 609 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::resonance_second_order | ( | real(real64), intent(in) | omega, |
real(real64), intent(out) | power, | ||
integer, intent(in) | nw_subtracted, | ||
real(real64), intent(in) | leftbound, | ||
real(real64), intent(in) | rightbound, | ||
real(real64), intent(in) | c01, | ||
real(real64), intent(in) | c02 | ||
) |
Definition at line 651 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::generate_signal | ( | type(namespace_t), intent(in) | namespace, |
integer, intent(in) | order, | ||
integer, dimension(2), intent(in) | observable | ||
) |
Definition at line 699 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::modify_ot | ( | integer, intent(in) | time_steps, |
real(real64), intent(in) | dt, | ||
integer, intent(in) | order, | ||
real(real64), dimension(0:time_steps), intent(inout) | ot, | ||
real(real64), intent(in) | omega, | ||
real(real64), intent(in) | power | ||
) |
Definition at line 925 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::write_ot | ( | type(namespace_t), intent(in) | namespace, |
integer, intent(in) | nspin, | ||
integer, intent(in) | time_steps, | ||
real(real64), intent(in) | dt, | ||
type(kick_t), intent(in) | kick, | ||
integer, intent(in) | order, | ||
real(real64), dimension(0:time_steps), intent(in) | ot, | ||
integer, dimension(2), intent(in) | observable | ||
) |
Definition at line 960 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::read_ot | ( | type(namespace_t), intent(in) | namespace, |
integer, intent(out) | nspin, | ||
integer, intent(out) | order, | ||
integer, intent(out) | nw_subtracted | ||
) |
Definition at line 1024 of file oscillator_strength.F90.
subroutine oscillator_strength_oct_m::print_omega_file | ( | type(namespace_t), intent(in) | namespace, |
real(real64), intent(inout) | omega, | ||
real(real64), intent(inout) | search_interval, | ||
real(real64), intent(inout) | final_time, | ||
integer, intent(inout) | nfrequencies | ||
) |
Definition at line 1119 of file oscillator_strength.F90.
integer, parameter oscillator_strength_oct_m::sine_transform = 1 |
Definition at line 133 of file oscillator_strength.F90.
integer, parameter oscillator_strength_oct_m::cosine_transform = 2 |
Definition at line 133 of file oscillator_strength.F90.
integer, dimension(2) oscillator_strength_oct_m::observable |
Definition at line 143 of file oscillator_strength.F90.
type(unit_system_t) oscillator_strength_oct_m::units |
Definition at line 144 of file oscillator_strength.F90.
real(real64), dimension(:), allocatable oscillator_strength_oct_m::ot |
Definition at line 145 of file oscillator_strength.F90.
type(kick_t) oscillator_strength_oct_m::kick |
Definition at line 146 of file oscillator_strength.F90.
integer oscillator_strength_oct_m::time_steps |
Definition at line 147 of file oscillator_strength.F90.
real(real64) oscillator_strength_oct_m::total_time |
Definition at line 148 of file oscillator_strength.F90.
integer oscillator_strength_oct_m::mode |
Definition at line 149 of file oscillator_strength.F90.
real(real64) oscillator_strength_oct_m::dt |
Definition at line 150 of file oscillator_strength.F90.