Day 3 ===== Overview -------- For today's class, we return to the Lennard Jones equation to calculate the energy of a molecular system. We will compare our energy results to those reported by the National Institutes of Standards and Technology (NIST),\ and learn some computational tricks that allow us to simulate large systems. Lessons ------- .. csv-table:: :file: csv_tables/day3.csv :header-rows: 1 .. toctree:: :maxdepth: 1 :hidden: day3/00-group-meeting day3/01-LJ-system day3/02-computational-tricks Discussions and Assignments --------------------------- .. toctree:: :maxdepth: 1 individual-assignments/individual-assignment-1 day3/group-assignment