File I/O: Readers & WritersΒΆ

pylimer-tools provides comprehensive support for reading and writing various LAMMPS file formats, enabling seamless integration with molecular dynamics workflows.

The library supports four main file I/O operations:

  1. Reading LAMMPS data files - Complete system configurations

  2. Reading LAMMPS dump files - Trajectory and snapshot data

  3. Reading LAMMPS output files - Measurements and simulation results

  4. Writing LAMMPS data files - Modified or generated systems

pylimer-tools Output Reader

pylimer-tools Output Reader

Correlated Averages Reader

Correlated Averages Reader

Histogram Reader

Histogram Reader

Performance and Caching

Performance and Caching

Unit Conversion

Unit Conversion

Log & Thermo File Reader

Log & Thermo File Reader

Extract Trajectory Frame to Data File

Extract Trajectory Frame to Data File

Dump File Reader

Dump File Reader

Time-Averaged Data Reader

Time-Averaged Data Reader

Convert for Bond Swapping

Convert for Bond Swapping

Data File Reader

Data File Reader

Memory-Efficient Dump File Reading

Memory-Efficient Dump File Reading

Data File Writer

Data File Writer