lammps

History

Axel Kohlmeyer ebdc4b1ce3 rework npt/cauchy example to use bundled potential, run shorter and move to proper folder		2020-01-12 14:46:55 -05:00
..
NiAlH_jea.eam.alloy	rework npt/cauchy example to use bundled potential, run shorter and move to proper folder	2020-01-12 14:46:55 -05:00
README	rework npt/cauchy example to use bundled potential, run shorter and move to proper folder	2020-01-12 14:46:55 -05:00
in.cauchystat	rework npt/cauchy example to use bundled potential, run shorter and move to proper folder	2020-01-12 14:46:55 -05:00
log.9Jan2020.cauchystat.g++.1	rework npt/cauchy example to use bundled potential, run shorter and move to proper folder	2020-01-12 14:46:55 -05:00

README

Run this example by executing:

% lmp -in in.cauchystat

Note that this example use an EAM potential, and therefore must be
run with a LAMMPS executable built with the MANYBODY package.

The first cauchystat fix equilibrates the temperature at zero stress,
the second fix applies a shear stress. Output in avg.txt shows
convergence to correct values.