lammps

History

Axel Kohlmeyer 37289f7476 update log files for dipole and dreiding example inputs. add running some MD steps for dreiding		2018-11-28 16:07:12 -05:00
..
README	…
ch3oh.box.dreiding.bgf	…
ch3oh.box.dreiding.cerius2.eng.dat	…
data.dreiding	…
in.dreiding	update log files for dipole and dreiding example inputs. add running some MD steps for dreiding	2018-11-28 16:07:12 -05:00
log.27Nov18.dreiding.g++.1	update log files for dipole and dreiding example inputs. add running some MD steps for dreiding	2018-11-28 16:07:12 -05:00
log.27Nov18.dreiding.g++.4	update log files for dipole and dreiding example inputs. add running some MD steps for dreiding	2018-11-28 16:07:12 -05:00

README

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.