There are 6 examples in this directory. All are run by executing: % lmp_serial < lammps.in from the respective home directory. Note that these examples use an EAM potential, and therefore must be run with a LAMMPS executable built with the MANYBODY package. Al_shear_PR: Application of a simple shear stress, illustrating that there is a non-zero direct stress in the equilibrated system due to the fact that Parinello-Rahman controls the second Piola-Kirchhoff stress instead of the Cauchy stress. First fix equilibrates the temperature at zero stress, second fix applies the shear. The third fix corrects the problem because each new run resets the reference simulation cell (H0) to the current cell shape. Al_shear_CS: Cauchystat example. Same as above, using the Cauchystat instead of PR control. In this case, the equilibrated stresses are as prescribed (ie., the set stresses control the Cauchy stress, not Piola Kirchhoff) NiAl_cool: Cauchystat example. First fix equilibrates the system to uniaxial tension of 2800 bars, 1200K. Second fix cools to 300 K, causing a phase transformation. Cauchy stress remains at the set level after the transformation NiAl_stretch: Cauchystat example. After a brief equilibration at 600 K and zero stress, quickly ramp up the applied tensile stress from 0 to 6000 bars over 100000 time steps. After the phase transformation, Cauchy stress continues to follow the set value. NiAl_slow_stretch_CS: Cauchystat example. After a brief equilibration at 500 K and zero stress, gradually ramp up the applied tensile stress from 0 to 14000 bars over 350000 time steps. After the phase transformation, Cauchy stress continues to follow the set value. NiAl_slow_stretch_PR: After a brief equilibration at 500 K and zero stress, gradually ramp up the applied tensile stress from 0 to 14000 bars over 350000 time steps. After the phase transformation, Cauchy stress departs substantially from the set value, because the PR control is used instead of the Cauchystat.