relentless.simulate.InitializeFromFile#

class relentless.simulate.InitializeFromFile(filename, format=None, dimension=None)#

Initialize a simulation from a file.

Parameters:

  • filename (str) – Initial configuration.

  • format (str) –

    File format, from the following:

    • "HOOMD-GSD": HOOMD GSD file

    • "LAMMPS-data": LAMMPS data file

    If None (default), format is inferred from the filename according to the following ordered rules:

    • Files with .gsd as their sufix are HOOMD-GSD.

    • Files with .data anywhere in their suffix or as the stem of their file name are LAMMPS-data.

    Simulations are encouraged but not required to support as many file formats as possible.

  • dimension (int) – Dimension of simulation. If None (default), the dimension is inferred from the file. Note that depending on the file format, this default may produce incorrect results.

Methods

Attributes

filename

Absolute path to file to be read.
property filename#

Absolute path to file to be read.

Type:

str