add input examples for custom rigid body definition (ac6434e4) · Commits · 郑智淋 / lammps

examples/rigid/bodies.txt

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Original line number	Diff line number	Diff line
		81
		1 1
		2 1
		3 1
		4 1
		5 1
		6 1
		7 1
		8 1
		9 1
		10 2
		11 2
		12 2
		13 2
		14 2
		15 2
		16 2
		17 2
		18 2
		19 3
		20 3
		21 3
		22 3
		23 3
		24 3
		25 3
		26 3
		27 3
		28 4
		29 4
		30 4
		31 4
		32 4
		33 4
		34 4
		35 4
		36 4
		37 5
		38 5
		39 5
		40 5
		41 5
		42 5
		43 5
		44 5
		45 5
		46 6
		47 6
		48 6
		49 6
		50 6
		51 6
		52 6
		53 6
		54 6
		55 7
		56 7
		57 7
		58 7
		59 7
		60 7
		61 7
		62 7
		63 7
		64 8
		65 8
		66 8
		67 8
		68 8
		69 8
		70 8
		71 8
		72 8
		73 9
		74 9
		75 9
		76 9
		77 9
		78 9
		79 9
		80 9
		81 9

examples/rigid/data.rigid-property

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Original line number	Diff line number	Diff line
		# LAMMPS data file for rigid bodies

		81 atoms
		1 atom types

		-12 12 xlo xhi
		-12 12 ylo yhi
		-12 12 zlo zhi

		Masses

		1 1

		Pair Coeffs

		1 1 1

		Atoms

		1 1 0 0 0
		2 1 0 1 0
		3 1 0 0.5 0
		4 1 0.5 0 0
		5 1 0.5 0.5 1
		6 1 1 0.5 0
		7 1 0.5 1 0
		8 1 1 0 0
		9 1 1 1 0
		10 1 2 1 0
		11 1 1 2 0
		12 1 1.5 2 0
		13 1 1.5 1 0
		14 1 1 1.5 0
		15 1 1.5 1.5 1
		16 1 2 1.5 0
		17 1 2 2 0
		18 1 2 3 0
		19 1 2 2.5 0
		20 1 2.5 2 0
		21 1 2.5 2.5 1
		22 1 3 2.5 0
		23 1 2.5 3 0
		24 1 3 2 0
		25 1 3 3 0
		26 1 4 3 0
		27 1 3 4 0
		28 1 3.5 4 0
		29 1 3.5 3 0
		30 1 3 3.5 0
		31 1 3.5 3.5 1
		32 1 4 3.5 0
		33 1 4 4 0
		34 1 4 5 0
		35 1 4 4.5 0
		36 1 4.5 4 0
		37 1 4.5 4.5 1
		38 1 5 4.5 0
		39 1 4.5 5 0
		40 1 5 4 0
		41 1 5 5 0
		42 1 6 5 0
		43 1 5 6 0
		44 1 5.5 6 0
		45 1 5.5 5 0
		46 1 5 5.5 0
		47 1 5.5 5.5 1
		48 1 6 5.5 0
		49 1 6 6 0
		50 1 6 7 0
		51 1 6 6.5 0
		52 1 6.5 6 0
		53 1 6.5 6.5 1
		54 1 7 6.5 0
		55 1 6.5 7 0
		56 1 7 6 0
		57 1 7 7 0
		58 1 8 7 0
		59 1 7 8 0
		60 1 7.5 8 0
		61 1 7.5 7 0
		62 1 7 7.5 0
		63 1 7.5 7.5 1
		64 1 8 7.5 0
		65 1 8 8 0
		66 1 8 9 0
		67 1 8 8.5 0
		68 1 8.5 8 0
		69 1 8.5 8.5 1
		70 1 9 8.5 0
		71 1 8.5 9 0
		72 1 9 8 0
		73 1 9 9 0
		74 1 10 9 0
		75 1 9 10 0
		76 1 9.5 10 0
		77 1 9.5 9 0
		78 1 9 9.5 0
		79 1 9.5 9.5 1
		80 1 10 9.5 0
		81 1 10 10 0

		Bodies

		1 1
		2 1
		3 1
		4 1
		5 1
		6 1
		7 1
		8 1
		9 1
		10 2
		11 2
		12 2
		13 2
		14 2
		15 2
		16 2
		17 2
		18 2
		19 3
		20 3
		21 3
		22 3
		23 3
		24 3
		25 3
		26 3
		27 3
		28 4
		29 4
		30 4
		31 4
		32 4
		33 4
		34 4
		35 4
		36 4
		37 5
		38 5
		39 5
		40 5
		41 5
		42 5
		43 5
		44 5
		45 5
		46 6
		47 6
		48 6
		49 6
		50 6
		51 6
		52 6
		53 6
		54 6
		55 7
		56 7
		57 7
		58 7
		59 7
		60 7
		61 7
		62 7
		63 7
		64 8
		65 8
		66 8
		67 8
		68 8
		69 8
		70 8
		71 8
		72 8
		73 9
		74 9
		75 9
		76 9
		77 9
		78 9
		79 9
		80 9
		81 9

examples/rigid/in.rigid-atomfile

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Original line number	Diff line number	Diff line
		# Simple rigid body system

		units lj
		atom_style atomic
		atom_modify map array

		pair_style lj/cut 2.5

		read_data data.rigid

		velocity all create 100.0 4928459


		# unconnected bodies

		group clump1 id <> 1 9
		group clump2 id <> 10 18
		group clump3 id <> 19 27
		group clump4 id <> 28 36
		group clump5 id <> 37 45
		group clump6 id <> 46 54
		group clump7 id <> 55 63
		group clump8 id <> 64 72
		group clump9 id <> 73 81

		variable bodies atomfile bodies.txt
		fix 1 all rigid custom v_bodies

		# 1 chain of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 36 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
		# clump6 clump7 clump8 clump9

		# 2 chains of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 37 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4
		#fix 2 all poems group clump5 clump6 clump7 clump8 clump9

		neigh_modify exclude group clump1 clump1
		neigh_modify exclude group clump2 clump2
		neigh_modify exclude group clump3 clump3
		neigh_modify exclude group clump4 clump4
		neigh_modify exclude group clump5 clump5
		neigh_modify exclude group clump6 clump6
		neigh_modify exclude group clump7 clump7
		neigh_modify exclude group clump8 clump8
		neigh_modify exclude group clump9 clump9

		thermo 100

		#dump 1 all atom 50 dump.rigid

		#dump 2 all image 100 image.*.jpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 2 pad 5

		#dump 3 all movie 100 movie.mpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 3 pad 5

		timestep 0.0001
		thermo 50
		run 10000

examples/rigid/in.rigid-atomvar

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Original line number	Diff line number	Diff line
		# Simple rigid body system

		units lj
		atom_style atomic
		atom_modify map array

		pair_style lj/cut 2.5

		read_data data.rigid

		velocity all create 100.0 4928459


		# unconnected bodies

		group clump1 id <> 1 9
		group clump2 id <> 10 18
		group clump3 id <> 19 27
		group clump4 id <> 28 36
		group clump5 id <> 37 45
		group clump6 id <> 46 54
		group clump7 id <> 55 63
		group clump8 id <> 64 72
		group clump9 id <> 73 81

		variable bodies atom 1.0gmask(clump1)+2.0gmask(clump2)+3.0gmask(clump3)+4.0gmask(clump4)+5.0gmask(clump5)+6.0gmask(clump6)+7.0gmask(clump7)+8.0gmask(clump8)+9.0*gmask(clump9)
		fix 1 all rigid custom v_bodies

		# 1 chain of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 36 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
		# clump6 clump7 clump8 clump9

		# 2 chains of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 37 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4
		#fix 2 all poems group clump5 clump6 clump7 clump8 clump9

		neigh_modify exclude group clump1 clump1
		neigh_modify exclude group clump2 clump2
		neigh_modify exclude group clump3 clump3
		neigh_modify exclude group clump4 clump4
		neigh_modify exclude group clump5 clump5
		neigh_modify exclude group clump6 clump6
		neigh_modify exclude group clump7 clump7
		neigh_modify exclude group clump8 clump8
		neigh_modify exclude group clump9 clump9

		thermo 100

		#dump 1 all atom 50 dump.rigid

		#dump 2 all image 100 image.*.jpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 2 pad 5

		#dump 3 all movie 100 movie.mpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 3 pad 5

		timestep 0.0001
		thermo 50
		run 10000

examples/rigid/in.rigid-property

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Original line number	Diff line number	Diff line
		# Simple rigid body system

		units lj
		atom_style atomic
		atom_modify map array

		pair_style lj/cut 2.5

		fix 0 all property/atom i_bodies

		read_data data.rigid-property fix 0 NULL Bodies

		velocity all create 100.0 4928459


		# unconnected bodies

		group clump1 id <> 1 9
		group clump2 id <> 10 18
		group clump3 id <> 19 27
		group clump4 id <> 28 36
		group clump5 id <> 37 45
		group clump6 id <> 46 54
		group clump7 id <> 55 63
		group clump8 id <> 64 72
		group clump9 id <> 73 81

		# assemble bodies from per-atom custom integer property bodies
		fix 1 all rigid custom i_bodies

		# 1 chain of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 36 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4 clump5 &
		# clump6 clump7 clump8 clump9

		# 2 chains of connected bodies

		#group clump1 id <> 1 9
		#group clump2 id <> 9 18
		#group clump3 id <> 18 27
		#group clump4 id <> 27 36
		#group clump5 id <> 37 45
		#group clump6 id <> 45 54
		#group clump7 id <> 54 63
		#group clump8 id <> 63 72
		#group clump9 id <> 72 81

		#fix 1 all poems group clump1 clump2 clump3 clump4
		#fix 2 all poems group clump5 clump6 clump7 clump8 clump9

		neigh_modify exclude group clump1 clump1
		neigh_modify exclude group clump2 clump2
		neigh_modify exclude group clump3 clump3
		neigh_modify exclude group clump4 clump4
		neigh_modify exclude group clump5 clump5
		neigh_modify exclude group clump6 clump6
		neigh_modify exclude group clump7 clump7
		neigh_modify exclude group clump8 clump8
		neigh_modify exclude group clump9 clump9

		thermo 100

		#dump 1 all atom 50 dump.rigid

		#dump 2 all image 100 image.*.jpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 2 pad 5

		#dump 3 all movie 100 movie.mpg type type &
		# axes yes 0.8 0.02 view 60 -30
		#dump_modify 3 pad 5

		timestep 0.0001
		thermo 50
		run 10000

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