correlator Module Reference

Block correlators. More...

Data Types
type	axial_correlator_t
type	correlator_t

Functions/Subroutines
subroutine	init (this, l, b, dim, n)
	Initialize a correlator_t variable. More...
subroutine	add (this, i, block_operation, x, x_n, xvec, xvec_n)
	Add a data element to the correlator. More...
subroutine, public	correlate_block_dot (s, c, idx, l, n, dim)
	Correlation routine for dot product. More...
subroutine, public	correlate_block_distsq (s, c, idx, l, n, dim)
	Correlation routine for squared distance. More...
integer function, public	get_n_blocks (l, n_blocks_max, n_samples)
	Return the number of blocks needed for a trajectory of length n_samples. More...
subroutine	axial_init (this, block_length, n_samples, n_samples_fast)
	Initialize an axial correlator. More...
subroutine	axial_add (this, i, com_pos, unit_r)
	Add a data element to an axial correlator (slow time scale) More...
subroutine	axial_add_fast (this, i, v_com, unit_r)
	Add a data element to an axial correlator (fast time scale) More...
subroutine	axial_write (this, correlator_group, sampling, dt, fast_sampling, fast_dt)
	Write all correlators from an axial correlator variable to a HDF5 group. More...
subroutine, public	write_correlator_block (loc, name, c, step, time)
	Write the data from a correlator_t variable to a HDF5 group. More...

Detailed Description

Block correlators.

This modules defines a derived type for storing logarithmic block correlators. The subroutines correlate_block_distsq and correlate_block_dot are correlators for the square distance and the dot product, respectively.

The derived type axial_correlator_t groups correlators for axisymmetric bodies such as the dimer.

See http://pdebuyl.be/blog/2016/correlators.html for information

Function/Subroutine Documentation

add()

subroutine correlator::add ( class(correlator_t), intent(inout)  this, integer, intent(in)  i,   block_operation, double precision, intent(in), optional  x, double precision, dimension(:), intent(in), optional  x_n, double precision, dimension(:), intent(in), optional  xvec, double precision, dimension(:,:), intent(in), optional  xvec_n  )

private

Add a data element to the correlator.

Definition at line 90 of file correlator.f90.

axial_add()

subroutine correlator::axial_add ( class(axial_correlator_t), intent(inout)  this, integer, intent(in)  i, double precision, dimension(3), intent(in)  com_pos, double precision, dimension(3), intent(in)  unit_r  )

private

Add a data element to an axial correlator (slow time scale)

Definition at line 217 of file correlator.f90.

axial_add_fast()

subroutine correlator::axial_add_fast ( class(axial_correlator_t), intent(inout)  this, integer, intent(in)  i, double precision, dimension(3), intent(in)  v_com, double precision, dimension(3), intent(in)  unit_r  )

private

Add a data element to an axial correlator (fast time scale)

Definition at line 228 of file correlator.f90.

axial_init()

subroutine correlator::axial_init ( class(axial_correlator_t), intent(inout)  this, integer, intent(in)  block_length, integer, intent(in)  n_samples, integer, intent(in)  n_samples_fast  )

private

Initialize an axial correlator.

Definition at line 199 of file correlator.f90.

axial_write()

subroutine correlator::axial_write ( class(axial_correlator_t), intent(inout)  this, integer(hid_t)  correlator_group, integer, intent(in)  sampling, double precision, intent(in)  dt, integer, intent(in)  fast_sampling, double precision, intent(in)  fast_dt  )

private

Write all correlators from an axial correlator variable to a HDF5 group.

Definition at line 244 of file correlator.f90.

correlate_block_distsq()

subroutine, public correlator::correlate_block_distsq	(	double precision, dimension(:,:,:), intent(in)	s,
		double precision, dimension(:,:,:), intent(inout)	c,
		integer, intent(in)	idx,
		integer, intent(in)	l,
		integer, intent(in)	n,
		integer, intent(in)	dim
	)

Correlation routine for squared distance.

Definition at line 168 of file correlator.f90.

correlate_block_dot()

subroutine, public correlator::correlate_block_dot	(	double precision, dimension(:,:,:), intent(in)	s,
		double precision, dimension(:,:,:), intent(inout)	c,
		integer, intent(in)	idx,
		integer, intent(in)	l,
		integer, intent(in)	n,
		integer, intent(in)	dim
	)

Correlation routine for dot product.

Definition at line 148 of file correlator.f90.

get_n_blocks()

integer function, public correlator::get_n_blocks	(	integer, intent(in)	l,
		integer, intent(in)	n_blocks_max,
		integer, intent(in)	n_samples
	)

Return the number of blocks needed for a trajectory of length n_samples.

Definition at line 188 of file correlator.f90.

init()

subroutine correlator::init ( class(correlator_t), intent(out)  this, integer, intent(in)  l, integer, intent(in)  b, integer, intent(in), optional  dim, integer, intent(in), optional  n  )

private

Initialize a correlator_t variable.

Definition at line 58 of file correlator.f90.

write_correlator_block()

subroutine, public correlator::write_correlator_block	(	integer(hid_t), intent(inout)	loc,
		character(len=*), intent(in)	name,
		type(correlator_t), intent(in)	c,
		integer, intent(in)	step,
		double precision, intent(in)	time
	)

Write the data from a correlator_t variable to a HDF5 group.

Definition at line 267 of file correlator.f90.