lennard_jones_oct_m::lennard_jones_t Interface Reference

Lennard-Jones interaction between two systems of particles. More...

Detailed Description

Lennard-Jones interaction between two systems of particles.

Definition at line 133 of file lennard_jones.F90.

Inheritance diagram for lennard_jones_oct_m::lennard_jones_t:

Public Attributes
real(real64), public	lj_epsilon
real(real64), public	lj_sigma
integer, public	partner_np = 0
	number of particles in the partner system More...
real(real64), dimension(:,:), allocatable, public	partner_pos
	array storing a copy of the positions of the partner particles More...
Public Attributes inherited from force_interaction_oct_m::force_interaction_t
real(real64), dimension(:,:), allocatable, public	force

Private Member Functions
procedure	init => lennard_jones_init
procedure	calculate => lennard_jones_calculate
procedure	calculate_energy => lennard_jones_calculate_energy
final	lennard_jones_finalize
class(lennard_jones_t) function, pointer	lennard_jones_constructor (partner)

Private Attributes
real(real64), dimension(:,:), pointer	system_pos => NULL()
	pointer to array storing the positions of the particles More...

Member Function/Subroutine Documentation

init()

procedure lennard_jones_oct_m::lennard_jones_t::init

private

Definition at line 143 of file lennard_jones.F90.

calculate()

procedure lennard_jones_oct_m::lennard_jones_t::calculate

private

Definition at line 144 of file lennard_jones.F90.

calculate_energy()

procedure lennard_jones_oct_m::lennard_jones_t::calculate_energy

private

Definition at line 145 of file lennard_jones.F90.

lennard_jones_finalize()

final lennard_jones_oct_m::lennard_jones_t::lennard_jones_finalize

finalprivate

Definition at line 146 of file lennard_jones.F90.

lennard_jones_constructor()

class(lennard_jones_t) function, pointer lennard_jones_oct_m::lennard_jones_t::lennard_jones_constructor ( class(interaction_partner_t), intent(inout), target  partner )

private

Definition at line 156 of file lennard_jones.F90.

Member Data Documentation

system_pos

real(real64), dimension(:,:), pointer lennard_jones_oct_m::lennard_jones_t::system_pos => NULL()

private

pointer to array storing the positions of the particles

Definition at line 135 of file lennard_jones.F90.

lj_epsilon

real(real64), public lennard_jones_oct_m::lennard_jones_t::lj_epsilon

Definition at line 136 of file lennard_jones.F90.

lj_sigma

real(real64), public lennard_jones_oct_m::lennard_jones_t::lj_sigma

Definition at line 137 of file lennard_jones.F90.

partner_np

integer, public lennard_jones_oct_m::lennard_jones_t::partner_np = 0

number of particles in the partner system

Definition at line 139 of file lennard_jones.F90.

partner_pos

real(real64), dimension(:,:), allocatable, public lennard_jones_oct_m::lennard_jones_t::partner_pos

array storing a copy of the positions of the partner particles

Definition at line 140 of file lennard_jones.F90.

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The documentation for this interface was generated from the following file:

• interactions/lennard_jones.F90