diff --git a/examples/python/in.pair_python_hybrid b/examples/python/in.pair_python_hybrid index e4ea3eb99..914b840e8 100644 --- a/examples/python/in.pair_python_hybrid +++ b/examples/python/in.pair_python_hybrid @@ -1,60 +1,61 @@ # 3d Lennard-Jones hybrid units lj atom_style atomic lattice fcc 0.8442 region box block 0 10 0 10 0 10 create_box 2 box create_atoms 1 box mass * 1.0 velocity all create 3.0 87287 pair_style hybrid lj/cut 2.5 python 2.5 pair_coeff * * python lj-melt-potential.py lj NULL pair_coeff * 2 lj/cut 1.0 1.0 neighbor 0.3 bin -neigh_modify every 10 delay 0 check no +neigh_modify every 20 delay 0 check no fix 1 all nve thermo 50 run 250 write_data hybrid.data write_restart hybrid.restart clear read_restart hybrid.restart pair_style hybrid lj/cut 2.5 python 2.5 pair_coeff * * python lj-melt-potential.py lj NULL pair_coeff * 2 lj/cut 1.0 1.0 fix 1 all nve thermo 50 run 250 clear units lj atom_style atomic read_data hybrid.data pair_style hybrid lj/cut 2.5 python 2.5 pair_coeff * * python lj-melt-potential.py lj NULL pair_coeff * 2 lj/cut 1.0 1.0 neighbor 0.3 bin -neigh_modify every 10 delay 0 check no +neigh_modify every 20 delay 0 check no fix 1 all nve thermo 50 run 250 +shell rm hybrid.data hybrid.restart diff --git a/examples/python/in.pair_python_melt b/examples/python/in.pair_python_melt index b3205c053..ae37aafa7 100644 --- a/examples/python/in.pair_python_melt +++ b/examples/python/in.pair_python_melt @@ -1,57 +1,58 @@ # 3d Lennard-Jones melt units lj atom_style atomic lattice fcc 0.8442 region box block 0 10 0 10 0 10 create_box 1 box create_atoms 1 box mass * 1.0 velocity all create 3.0 87287 pair_style python 2.5 pair_coeff * * lj-melt-potential.py lj neighbor 0.3 bin neigh_modify every 20 delay 0 check no fix 1 all nve thermo 50 run 250 write_data melt.data write_restart melt.restart clear read_restart melt.restart pair_style python 2.5 pair_coeff * * lj-melt-potential.py lj fix 1 all nve thermo 50 run 250 clear units lj atom_style atomic read_data melt.data pair_style python 2.5 pair_coeff * * lj-melt-potential.py lj neighbor 0.3 bin neigh_modify every 20 delay 0 check no fix 1 all nve thermo 50 run 250 +shell rm melt.data melt.restart