in.fix_wall_region
bc446bb8b01blammm-devel

in.fix_wall_region
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			units lj
			atom_style ellipsoid
			boundary p p p
			read_data Data_region
			#------------------------------------#
			region the_wall block 20. 40. 20. 40. 20. 40. side out
			#------------------------------------#
			pair_style resquared 1
			pair_coeff 1 1 10.0 1.0 0.5 0.5 4 0.5 0.5 4 1
			#------------------------------------#
			timestep 0.0005
			#------------------------------------#

			fix EES_block all wall/region/ees the_wall 10. 1. 20
			#^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^^#

			thermo_style custom step temp press etotal f_EES_block[1] f_EES_block[3]

			fix NVE all nve/asphere
			#------------------------------------#
			compute qw all property/atom quatw
			compute qi all property/atom quati
			compute qj all property/atom quatj
			compute qk all property/atom quatk
			#------------------------------------#
			thermo 500
			#dump 1 all custom 1000 dump_region id type x y z c_qw c_qi c_qj c_qk
			run 50000