Octopus
|
This module implements the basic propagator framework. More...
This module implements the basic propagator framework.
Data Types | |
type | propagator_t |
Abstract class implementing propagators. More... | |
Functions/Subroutines | |
logical function | propagator_do_operation (this, operation) |
perform one operation of the state machine More... | |
logical function | propagator_finished (this) |
indicate whether a propagation has reached the final time More... | |
subroutine | propagator_save_scf_start (this) |
Save the current iteration state (START_SCF_LOOP) and move to next step. More... | |
subroutine | propagator_rewind_scf_loop (this) |
Reset the iteration state to the beginning of the loop (START_SCF_LOOP) and move to next step. More... | |
Variables | |
character(len=algo_label_len), parameter, public | start_scf_loop = 'START_SCF_LOOP' |
character(len=algo_label_len), parameter, public | end_scf_loop = 'END_SCF_LOOP' |
character(len=algo_label_len), parameter, public | store_current_status = 'STORE_CURRENT_STATUS' |
type(algorithmic_operation_t), parameter, public | op_start_scf_loop = algorithmic_operation_t(START_SCF_LOOP, 'Starting SCF loop') |
type(algorithmic_operation_t), parameter, public | op_end_scf_loop = algorithmic_operation_t(END_SCF_LOOP, 'End of SCF iteration') |
type(algorithmic_operation_t), parameter, public | op_store_current_status = algorithmic_operation_t(STORE_CURRENT_STATUS, 'Store current status') |
|
private |
perform one operation of the state machine
this routine performs operations which are general (not system specific).
Definition at line 171 of file propagator.F90.
|
private |
indicate whether a propagation has reached the final time
Definition at line 232 of file propagator.F90.
|
private |
Save the current iteration state (START_SCF_LOOP) and move to next step.
Definition at line 244 of file propagator.F90.
|
private |
Reset the iteration state to the beginning of the loop (START_SCF_LOOP) and move to next step.
Definition at line 259 of file propagator.F90.
character(len=algo_label_len), parameter, public propagator_oct_m::start_scf_loop = 'START_SCF_LOOP' |
Definition at line 153 of file propagator.F90.
character(len=algo_label_len), parameter, public propagator_oct_m::end_scf_loop = 'END_SCF_LOOP' |
Definition at line 153 of file propagator.F90.
character(len=algo_label_len), parameter, public propagator_oct_m::store_current_status = 'STORE_CURRENT_STATUS' |
Definition at line 153 of file propagator.F90.
type(algorithmic_operation_t), parameter, public propagator_oct_m::op_start_scf_loop = algorithmic_operation_t(START_SCF_LOOP, 'Starting SCF loop') |
Definition at line 158 of file propagator.F90.
type(algorithmic_operation_t), parameter, public propagator_oct_m::op_end_scf_loop = algorithmic_operation_t(END_SCF_LOOP, 'End of SCF iteration') |
Definition at line 158 of file propagator.F90.
type(algorithmic_operation_t), parameter, public propagator_oct_m::op_store_current_status = algorithmic_operation_t(STORE_CURRENT_STATUS, 'Store current status') |
Definition at line 158 of file propagator.F90.