#=============================================================== variable tempo equal 0.70 variable presso equal -0.85 variable rho equal 0.8 variable numb equal 2048 variable abc equal (${numb}/${rho})^(1/3) variable seed_date equal 111017 #--------------------------------------------------------------- units lj atom_style atomic log log3 lattice fcc ${rho} region box block 0 ${abc} 0 ${abc} 0 ${abc} units box create_box 1 box create_atoms 1 random ${numb} ${seed_date} NULL mass 1 1.0 read_dump dump_start.txt 3 x y z vx vy vz pair_style lj/cut 6.78 pair_coeff 1 1 1.0 1.0 6.78 neighbor 0.3 bin neigh_modify every 50 delay 0 check no thermo_style custom step temp press pe etotal vol thermo 1 timestep 0.00231832 #--------------------------------------------------------------- fix 1F all npt temp ${tempo} ${tempo} 0.231832 iso ${presso} ${presso} 2.31832 #dump all_dump all custom 1 dump_all.txt id x y z vx vy vz fix ssages all ssages run 1000000000 #=============================================================== #=============<> HAPPY END !!! <>====================== #===============================================================