Log

class atomman.lammps.Log(log_info: str | IOBase | None = None)

Object for representing a LAMMPS log output

flatten(style: str = 'last', firstindex: int | None = None, lastindex: int | None = None) → Simulation

Combines multiple simulations into one.

Parameters:

style (str, optional) – Specifies how duplicate time step values are handled, i.e which values to keep: ‘first’ uses the values from the earliest simulation. ‘last’ uses the values from the latest simulation (default). ‘all’ uses all reported lines including ones with duplicate time steps.
firstindex (int or None, optional) – The leading list range index to limit which simulations are included in the merge, i.e. simulations[firstindex:lastindex].
lastindex (int or None, optional) – The trailing list range index to limit which simulations are included in the merge, i.e. simulations[firstindex:lastindex].

Returns:

A Simulation object containing the condensed thermo data.

Return type:

Simulation

property lammps_date: date

The date associated with the LAMMPS version used.

property lammps_version: str

The LAMMPS version used.

read(log_info: str | IOBase, append: bool = True)

Parses a LAMMPS screen output/log file.

Parameters:

log_info (str or file-like object) – The LAMMPS log content to read in.
append (bool, optional) – Flag indicating if the content being read in is appended to the current data (True, default), or if it overwrites any existing saved content (False).

property simulations: List[dict]

parsed data for each separate LAMMPS run/minimize action