Struct LammpsLogParser 

pub struct LammpsLogParser;

Parse LAMMPS thermo output from a log file string.

Looks for lines starting with a header of whitespace-separated column names, then reads subsequent numeric rows.

Implementations

impl LammpsLogParser

pub fn parse_thermo(log_text: &str) -> Vec<LammpsThermoRecord>

Parse thermo records from a LAMMPS log file string.

Returns a vector of thermo records. Columns are matched by name (case-insensitive). Unknown columns are ignored.

pub fn parse_wall_time(log_text: &str) -> Option<String>

Extract the total simulation time from a log file.

Looks for a line of the form Total wall time: HH:MM:SS. Returns None if not found.

pub fn count_total_steps(log_text: &str) -> u64

Count the number of MD steps in a LAMMPS log file.

Looks for lines matching run N and sums up N.