espressomd.io package

Submodules

espressomd.io.mpiio module

class espressomd.io.mpiio.Mpiio[source]

Bases: object

MPI-IO object.

Used to output particle data using MPI-IO to binary files.

Note

See the write and read methods for documentation.

read(prefix=None, positions=False, velocities=False, types=False, bonds=False)[source]

MPI-IO read.

This function reads data dumped by write. See the write documentation for details.

Note

The files must be read on the same number of processes that wrote the data. The data must be read on a machine with the same architecture (otherwise, this might silently fail).

write(prefix=None, positions=False, velocities=False, types=False, bonds=False)[source]

MPI-IO write.

Outputs binary data using MPI-IO to several files starting with prefix. Suffixes are:

  • head: Information about fields that are dumped,

  • pref: Information about processes: 1 int per process,

  • id: Particle ids: 1 int per particle,

  • pos: Position information (if dumped): 3 doubles per particle,

  • vel: Velocity information (if dumped): 3 doubles per particle,

  • typ: Type information (if dumped): 1 int per particle,

  • bond: Bond information (if dumped): variable amount of data,

  • boff: Bond offset information (if bonds are dumped): 1 int per particle.

Note

Do not read the files on a machine with a different architecture!

Parameters
  • prefix (str) – Common prefix for the filenames.

  • positions (bool, optional) – Indicates if positions should be dumped.

  • velocities (bool, optional) – Indicates if velocities should be dumped.

  • types (bool, optional) – Indicates if types should be dumped.

  • bonds (bool, optional) – Indicates if bonds should be dumped.

Raises

ValueError – If no prefix was given or none of the output fields are chosen.

Module contents