particle_system_io Module Reference

Facilities for particle data I/O. More...

Data Types
type	particle_system_io_info_t
type	particle_system_io_t
type	thermo_t

Functions/Subroutines
subroutine	ps_init (this, h5md_file, name, ps)
subroutine	ps_close (this)
subroutine	thermo_init (this, datafile, n_buffer, step, time, step_offset, time_offset)
subroutine	thermo_append (this, datafile, temperature, potential_energy, kinetic_energy, internal_energy, center_of_mass_velocity, add, force)

Detailed Description

Facilities for particle data I/O.

The derived type thermo_t holds observables for temperature, center-of-mass velocity and potential, kinetic and total energy.

The derived type particle_system_io_t contains the typical particle data for a simulation: position, velocity, etc.

Function/Subroutine Documentation

ps_close()

subroutine particle_system_io::ps_close ( class(particle_system_io_t), intent(inout)  this )

private

Definition at line 227 of file particle_system_io.f90.

ps_init()

subroutine particle_system_io::ps_init ( class(particle_system_io_t), intent(inout)  this, type(h5md_file_t), intent(inout)  h5md_file, character(len=*), intent(in)  name, type(particle_system_t), intent(in)  ps  )

private

Definition at line 72 of file particle_system_io.f90.

thermo_append()

subroutine particle_system_io::thermo_append ( class(thermo_t), intent(inout)  this, type(h5md_file_t), intent(inout)  datafile, double precision, intent(in)  temperature, double precision, intent(in)  potential_energy, double precision, intent(in)  kinetic_energy, double precision, intent(in)  internal_energy, double precision, dimension(3), intent(in)  center_of_mass_velocity, logical, intent(in), optional  add, logical, intent(in), optional  force  )

private

Definition at line 299 of file particle_system_io.f90.

thermo_init()

subroutine particle_system_io::thermo_init ( class(thermo_t), intent(out)  this, type(h5md_file_t), intent(inout)  datafile, integer, intent(in)  n_buffer, integer, intent(in)  step, double precision, intent(in)  time, integer, intent(in), optional  step_offset, double precision, intent(in), optional  time_offset  )

private

Definition at line 235 of file particle_system_io.f90.