clean up of docs and code

This commit is contained in:
Steve Plimpton
2024-05-06 19:16:06 -06:00
parent 1c11de8a64
commit 3028b6f34c
4 changed files with 96 additions and 558 deletions

View File

@ -7,6 +7,8 @@ cross the periodic boundary to close the loop.
To run these scripts, LAMMPS should be built with the MOLECULE and
CLASS2 packages. The latter is only needed for the CNT example.
--------
These scripts are tiny examples which illustrate both kinds of
systems. Each produces a series of images which can be visualized.
If the 3 lines for a dump movie command are uncommented, a MPG movie
@ -17,6 +19,13 @@ in.replcate.bond.x.y # 2d grid of bonded atoms, bond loops in x and y
in.replicate.bond.xy # linear chains in diagonal direction, bond loop in x and y
in.replicate.bond.noloop # linear chains in x direction, no bond loop
If you do not use the bond/periodic keyword with the replicate command
in the first 3 of these scripts (which have periodic bond loops), and
visualize the dynamics of hee simulation, you will see how the
replication creates a bogus system.
--------
This script is for a complex system of 3 orthogonal CNTs which has
periodic bond loops in all 3 dimensions xyz.