The LAMMPS input script and data file were built to match the Cerius Dreiding files included in this directory (ch3oh.box.*) so that you can compare LAMMPS output to a Dreiding implementation in the Cerius code.
| Name | Last commit | Last update |
|---|---|---|
| .. | ||
| README | ||
| ch3oh.box.dreiding.bgf | ||
| ch3oh.box.dreiding.cerius2.eng.dat | ||
| data.dreiding | ||
| in.dreiding | ||
| log.5Oct16.dreiding.g++.1 | ||
| log.5Oct16.dreiding.g++.4 | ||