Lecture notes
Files for running Lammps and analyzing output
Input file for Lammps src/in.myfirstmd
Visualize: Download ovito for your operating system, not Python
Matlab scripts for analyzing Lammps output
- trajectory files: src/readdump_all.m , src/readdump_one.m
- log files (thermodynamic data): src/readlog.m
- and a simple Matlab analysis script: src/myfirst_simple_matlab_analysis_script.m
Python scripts for analyzing Lammps output
- log files (thermodynamic data)
- Example Python script using log and trajectory files.
- and a simple Jupyter notebook example of analysis
Weekly exercise
In order to make sure you reach the learning goals of this week: complete the weekly exercises of week 36.