Data output

Collective information

class dump.data(info, group, file, period)

Constructor of an information dump object for a group of particles.

Parameters:

  • info – system information.

  • group – a group of particles.

  • file – the name of output file.

  • period – the period of data output.

Example:

dd = pygamd.dump.data(info=mst, group=['a'], file='data.log', period=100)
app.add(dd)

MST dump

class dump.mst(info, group, file, period, properties=None, split=False)

Constructor of an object to dump MST files.

Parameters:

  • info – system information.

  • group – a group of particles.

  • file – the name of output file.

  • period – the period of data output.

  • properties – the properties for output, candidates are ‘position’, ‘type’, ‘velocity’, ‘mass’, ‘image’, ‘force’, ‘potential’, ‘virial’, ‘bond’, ‘angle’, ‘dihedral’

  • split – if the trajectory file is splited into separated snapshot files

Example:

dm = pygamd.dump.mst(info=mst, group='all', file='p.mst', period=100000)
app.add(dm)

XML dump

class dump.xml(info, group, file, period, properties=None, split=False)

Constructor of an object to dump XML files.

Parameters:

  • info – system information.

  • group – a group of particles.

  • file – the name of output file.

  • period – the period of data output.

  • properties – the properties for output, candidates are ‘position’, ‘type’, ‘velocity’, ‘mass’, ‘image’, ‘force’, ‘potential’, ‘virial’, ‘bond’, ‘angle’, ‘dihedral’

  • split – if the trajectory file is splited into separated snapshot files

Example:

dx = pygamd.dump.xml(info=mst, group='all', file='p', period=100000)
app.add(dx)