common-1.inc
0f4a27ad8bablammm-master

common-1.inc
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			variable newtn index on off
			label newtn

			variable sfx index nosfx
			variable tst index 01

			clear

			include ${sfx}.inc

			units lj
			atom_style ${astyle}
			special_bonds lj/coul 1.0 1.0 1.0
			special_bonds ${sbonds}
			newton ${newtn}

			read_data ../data/data.${astyle}-${tst}
			include ${pstyle}.inc

			group left id 1
			group right id 2

			velocity all ramp vz -0.1 0.1 z -5.0 5.0 units box

			neighbor 0.3 bin

			fix 1 all nve

			compute 1 left group/group right

			variable force atom fxfx+fyfy+fz*fz
			compute 2 all pe/atom
			compute 3 all reduce sum c_2
			compute 4 left reduce sum v_force
			compute 5 right reduce sum v_force

			thermo 1
			thermo_style custom step etotal pe c_3 ke evdwl ecoul epair etail &
			pxx pyy pzz pxy pxz pyz &
			c_1[1] c_1[2] c_4 c_5 fmax fnorm
			thermo_modify format float %-16.10f
			run 10 post no

			next newtn
			jump SELF newtn