particle_system Module Reference

Data for particles. More...

Data Types
type	particle_system_t

Functions/Subroutines
subroutine	init (this, Nmax, n_species, mass, system_name)
subroutine	init_from_file (this, filename, group_name, mode, idx)
subroutine	random_placement (this, L, other, lj_params, state)
subroutine	sort (this, cells)
double precision function	maximum_displacement (this)
double precision function, public	cell_maximum_displacement (cells, p, delta_t)
subroutine, public	compute_cylindrical_shell_histogram (hist, x1, x2, L, bin_species, r_min, r_max, solvent)
subroutine, public	compute_radial_histogram (hist, x1, L, solvent, cells)
subroutine, public	correct_radial_histogram (hist)

Detailed Description

Data for particles.

The derived type particle_system_t holds all particle-related data. Duplicates are used in the spatial sorting routines.

Function/Subroutine Documentation

cell_maximum_displacement()

double precision function, public particle_system::cell_maximum_displacement	(	class(cell_system_t), intent(in)	cells,
		class(particle_system_t), intent(in)	p,
		double precision, intent(in)	delta_t
	)

Definition at line 381 of file particle_system.f90.

compute_cylindrical_shell_histogram()

subroutine, public particle_system::compute_cylindrical_shell_histogram	(	type(histogram_t), intent(inout)	hist,
		double precision, dimension(3), intent(in)	x1,
		double precision, dimension(3), intent(in)	x2,
		double precision, dimension(3), intent(in)	L,
		integer, intent(in)	bin_species,
		double precision, intent(in)	r_min,
		double precision, intent(in)	r_max,
		type(particle_system_t), intent(in)	solvent
	)

Definition at line 413 of file particle_system.f90.

compute_radial_histogram()

subroutine, public particle_system::compute_radial_histogram	(	type(histogram_t), intent(inout)	hist,
		double precision, dimension(3), intent(in)	x1,
		double precision, dimension(3), intent(in)	L,
		type(particle_system_t), intent(in)	solvent,
		type(cell_system_t), intent(in)	cells
	)

Definition at line 448 of file particle_system.f90.

correct_radial_histogram()

subroutine, public particle_system::correct_radial_histogram

(

type(histogram_t), intent(inout)

hist

)

Definition at line 496 of file particle_system.f90.

init()

subroutine particle_system::init ( class(particle_system_t), intent(out)  this, integer, intent(in)  Nmax, integer, intent(in), optional  n_species, double precision, dimension(:), intent(in), optional  mass, character(len=*), intent(in), optional  system_name  )

private

Definition at line 82 of file particle_system.f90.

init_from_file()

subroutine particle_system::init_from_file ( class(particle_system_t), intent(out)  this, character(len=*), intent(in)  filename, character(len=*), intent(in)  group_name, integer, intent(in)  mode, integer, intent(in), optional  idx  )

private

Definition at line 187 of file particle_system.f90.

maximum_displacement()

double precision function particle_system::maximum_displacement

(

class(particle_system_t), intent(inout)

this

)

Definition at line 358 of file particle_system.f90.

random_placement()

subroutine particle_system::random_placement	(	class(particle_system_t), intent(inout)	this,
		double precision, dimension(3), intent(in)	L,
		type(particle_system_t), intent(inout), optional	other,
		type(lj_params_t), intent(in), optional	lj_params,
		type(threefry_rng_t), intent(inout)	state
	)

Definition at line 251 of file particle_system.f90.

sort()

subroutine particle_system::sort	(	class(particle_system_t), intent(inout)	this,
		type(cell_system_t), intent(inout)	cells
	)

Definition at line 305 of file particle_system.f90.