Loading examples/msst/in.msst +8 −8 Original line number Diff line number Diff line # lj test of msst shock dynamics. # LJ test of msst shock dynamics # Energy in eV, time in ps, distance in angstroms. units metal Loading Loading @@ -26,11 +26,11 @@ pair_coeff 1 1 0.01032 3.405 timestep 2e-3 # Equilibrate the system. # Equilibrate the system fix 2 all nve thermo 10 run 1000 run 100 unfix 2 # MSST fix Loading @@ -44,7 +44,7 @@ variable dray equal f_msst[2] variable lgr_vel equal f_msst[3] variable lgr_pos equal f_msst[4] thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal v_dhug v_dray v_lgr_vel v_lgr_pos f_msst run 6000 thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal & v_dhug v_dray v_lgr_vel v_lgr_pos f_msst run 100 Loading
examples/msst/in.msst +8 −8 Original line number Diff line number Diff line # lj test of msst shock dynamics. # LJ test of msst shock dynamics # Energy in eV, time in ps, distance in angstroms. units metal Loading Loading @@ -26,11 +26,11 @@ pair_coeff 1 1 0.01032 3.405 timestep 2e-3 # Equilibrate the system. # Equilibrate the system fix 2 all nve thermo 10 run 1000 run 100 unfix 2 # MSST fix Loading @@ -44,7 +44,7 @@ variable dray equal f_msst[2] variable lgr_vel equal f_msst[3] variable lgr_pos equal f_msst[4] thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal v_dhug v_dray v_lgr_vel v_lgr_pos f_msst run 6000 thermo_style custom step temp ke pe lx ly lz pxx pyy pzz etotal & v_dhug v_dray v_lgr_vel v_lgr_pos f_msst run 100
