Documentation for module linesearch

A generic framework to calculate step lengths for 1D line search

source: linesearch.F
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public Types:

linesearch_type
...

public Subroutines/Functions:

SUBROUTINE
linesearch_create_section (section)
Declare the line search input section.
SUBROUTINE
linesearch_finalize (this)
Finzalize line search machinery
SUBROUTINE
linesearch_init (this, section, label)
Initialize linesearch from given input section
SUBROUTINE
linesearch_reset (this)
Reset line search to initial state
SUBROUTINE
linesearch_step (this, energy, slope)
Calculate step length of next line search step.
public Types:

TYPE :: linesearch_type
^

...

REAL(dp),
 PUBLIC :: step_size = 0.0_DP ...
LOGICAL,
 PUBLIC :: starts = .FALSE. ...
POINTER :: state_adapt => NULL() ...
POINTER :: state_2pnt => NULL() ...
POINTER :: state_3pnt => NULL() ...
POINTER :: state_gold => NULL() ...
INTEGER
 :: iw = -1 ...
INTEGER
 :: method = -1 ...
CHARACTER(10)
 :: label = "" ...
REAL(dp)
 :: init_step_size = 0.0_DP ...
REAL(dp)
 :: eps_step_size = 0.0_DP ...
REAL(dp)
 :: max_step_size = 0.0_DP ...
REAL(dp)
 :: tiny_step_size = 0.0_DP ...

SUBROUTINElinesearch_create_section(section)
^

Declare the line search input section.

Arguments:
POINTER
 :: section ...

SUBROUTINElinesearch_finalize(this)
^

Finzalize line search machinery

Arguments:
INTENT(inout)
 :: this ...

SUBROUTINElinesearch_init(this, section, label)
^

Initialize linesearch from given input section

Arguments:
INTENT(inout)
 :: this ...
POINTER
 :: section ...
CHARACTER(*)
 :: label ...

SUBROUTINElinesearch_reset(this)
^

Reset line search to initial state

Arguments:
INTENT(inout)
 :: this ...

SUBROUTINElinesearch_step(this, energy, slope)
^

Calculate step length of next line search step.

Arguments:
INTENT(inout)
 :: this ...
REAL(dp),
INTENT(in)
 :: energy ...
REAL(dp),
INTENT(in)
 :: slope ...

private Parameters/Types:

private Types:

TYPE :: linesearch_2pnt_type
^

...

REAL(dp),
 DIMENSION(2) :: energies = 0.0 ...
REAL(dp)
 :: scan_step = 0.0 ...
REAL(dp)
 :: last_step_size = 0.0 ...
REAL(dp)
 :: max_step_size = 0.0 ...
INTEGER
 :: count = 1 ...

TYPE :: linesearch_3pnt_type
^

...

REAL(dp),
 DIMENSION(3) :: energies = 0.0 ...
REAL(dp),
 DIMENSION(3) :: scan_steps = 0.0 ...
REAL(dp)
 :: last_step_size = 0.0 ...
REAL(dp)
 :: max_step_size = 0.0 ...
REAL(dp)
 :: tiny_step_size = 0.0 ...
INTEGER
 :: count = 1 ...

TYPE :: linesearch_adapt_type
^

...

REAL(dp)
 :: last_step_size = 0.0 ...
REAL(dp)
 :: left_x = 0.0 ...
REAL(dp)
 :: middle_x = 0.0 ...
REAL(dp)
 :: right_x = 0.0 ...
REAL(dp)
 :: left_e = 0.0 ...
REAL(dp)
 :: middle_e = 0.0 ...
REAL(dp)
 :: right_e = 0.0 ...
LOGICAL
 :: have_left = .FALSE. ...
LOGICAL
 :: have_middle = .FALSE. ...
LOGICAL
 :: have_right = .FALSE. ...
INTEGER
 :: count = 0 ...

TYPE :: linesearch_gold_type
^

...

REAL(dp)
 :: scan_steps = 0.0 ...
REAL(dp)
 :: last_step_size = 0.0 ...
REAL(dp)
 :: eps_step_size = 0.0 ...
REAL(dp)
 :: left_x = 0.0 ...
REAL(dp)
 :: middle_x = 0.0 ...
REAL(dp)
 :: right_x = 0.0 ...
REAL(dp)
 :: left_e = 0.0 ...
REAL(dp)
 :: middle_e = 0.0 ...
REAL(dp)
 :: right_e = 0.0 ...
LOGICAL
 :: have_left = .FALSE. ...
LOGICAL
 :: have_middle = .FALSE. ...
LOGICAL
 :: have_right = .FALSE. ...
LOGICAL
 :: gave_up = .FALSE. ...