sportran.i_o.read_lammps_dump.LAMMPS_Dump

class sportran.i_o.read_lammps_dump.LAMMPS_Dump(*args, **kwargs)

Bases: object

A LAMMPS_Dump file that can be read in blocks. example:

traj = LAMMPS_Dump(filename, preload=False) –>> do not preload list of steps (suggested if the file is big) traj.read_timesteps(10, start_step=0, select_ckeys=[‘id,xu,yu,vu’]) –>> Read first 10 timesteps, only the specified columns traj.read_timesteps(10, select_ckeys=[‘id,xu,yu,vu’]) –>> Read the next 10 timesteps, only the specified columns (DELTA_TIMESTEP is assumed) traj.read_timesteps((10,30)) –>> Read from TIMESTEP 10 to 30 traj.read_timesteps((10,30,2)) –>> Read every 2 steps from TIMESTEP 10 to 30 print(traj.data)

__init__(*args, **kwargs)

Methods

__init__(*args, **kwargs)
gototimestep(start_step[, fast_check])	Go to the start_step-th line in the time series (assumes step=1).
read_timesteps(selection[, start_step, ...])	Read selected keys of file, within the provided range. Examples: read_timesteps(10, start_step=0, select_ckeys=['id,xu,yu,vu']) -->> Read first 10 timesteps, only the specified columns read_timesteps(10, select_ckeys=['id,xu,yu,vu']) -->> Read the next 10 timesteps, only the specified columns (DELTA_TIMESTEP is assumed) read_timesteps((10,30)) -->> Read from TIMESTEP 10 to 30 read_timesteps((10,30,2)) -->> Read every 2 steps from TIMESTEP 10 to 30.

gototimestep(start_step, fast_check=True)

Go to the start_step-th line in the time series (assumes step=1).

start_step = -1 –> ignore, continue from current step

0 –> go to FIRST timestep N –> go to N-th timestep

fast_check = True –> assumes the TIMESTEP are a monotonously increasing.

If the the start_step is passed and not found then stop.

read_timesteps(selection, start_step=- 1, select_ckeys=None, fast_check=True)

Read selected keys of file, within the provided range. Examples:

read_timesteps(10, start_step=0, select_ckeys=[‘id,xu,yu,vu’]) –>> Read first 10 timesteps, only the specified columns read_timesteps(10, select_ckeys=[‘id,xu,yu,vu’]) –>> Read the next 10 timesteps, only the specified columns (DELTA_TIMESTEP is assumed) read_timesteps((10,30)) –>> Read from TIMESTEP 10 to 30 read_timesteps((10,30,2)) –>> Read every 2 steps from TIMESTEP 10 to 30