Commit 063307c7 authored by sjplimp's avatar sjplimp
Browse files 

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15648 f3b2605a-c512-4ea7-a41b-209d697bcdaa
parent f280bd32

examples/balance/in.balance.clock.dynamic

0 → 100644
+55 −0
Original line number Diff line number Diff line 
# 3d Lennard-Jones melt



units		lj

atom_style	atomic

processors      * 1 1



lattice		fcc 0.8442

region		box block 0 10 0 10 0 10

create_box	3 box

create_atoms	1 box

mass		* 1.0



region		long block 3 6 0 10 0 10

set             region long type 2



velocity	all create 1.0 87287



pair_style	lj/cut 2.5

pair_coeff	* * 1.0 1.0 2.5

pair_coeff      * 2 1.0 1.0 5.0



neighbor	0.3 bin

neigh_modify	every 2 delay 4 check yes

fix		p all property/atom d_WEIGHT

compute		p all property/atom d_WEIGHT

fix		0 all balance 50 1.0 shift x 10 1.0 &

                weight time 1.0 weight store WEIGHT

variable	maximb equal f_0[1]

variable	iter   equal f_0[2]

variable 	prev   equal f_0[3]

variable	final  equal f_0



#fix		3 all print 50 "${iter} ${prev} ${final} ${maximb}"



fix		1 all nve



#dump		id all atom 50 dump.melt

#dump		id all custom 50 dump.lammpstrj id type x y z c_p



#dump		2 all image 25 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	2 pad 3



#dump		3 all movie 25 movie.mpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	3 pad 3



thermo		50

run		500

run		500

fix		0 all balance 50 1.0 shift x 5 1.0 &

                weight neigh 0.5 weight time 0.66 weight store WEIGHT

run             500

run             500

examples/balance/in.balance.clock.static

0 → 100644
+48 −0
Original line number Diff line number Diff line 
# 3d Lennard-Jones melt



units		lj

atom_style	atomic

processors      * 1 1



variable	factor index 1.0



lattice		fcc 0.8442

region		box block 0 10 0 10 0 10

create_box	3 box

create_atoms	1 box

mass		* 1.0



region		long block 3 6 0 10 0 10

set             region long type 2



velocity	all create 1.0 87287



pair_style	lj/cut 2.5

pair_coeff	* * 1.0 1.0 2.5

pair_coeff      * 2 1.0 1.0 5.0



neighbor	0.3 bin

neigh_modify	every 2 delay 4 check yes



group		fast type 1

group		slow type 2

balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 



fix		1 all nve



#dump		id all atom 50 dump.melt



#dump		2 all image 25 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	2 pad 3



#dump		3 all movie 25 movie.mpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	3 pad 3



thermo		50

run		250

balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 

run		250

balance		1.0 shift x 5 1.1 weight time 1.0 # out unweighted.txt 

run 		250

examples/balance/in.balance.group.dynamic

0 → 100644
+47 −0
Original line number Diff line number Diff line 
# 3d Lennard-Jones melt



units		lj

atom_style	atomic

processors      * 1 1



variable	factor index 1.0



lattice		fcc 0.8442

region		box block 0 10 0 10 0 10

create_box	3 box

create_atoms	1 box

mass		* 1.0



region		long block 3 6 0 10 0 10

set             region long type 2



velocity	all create 1.0 87287



pair_style	lj/cut 2.5

pair_coeff	* * 1.0 1.0 2.5

pair_coeff      * 2 1.0 1.0 5.0



neighbor	0.3 bin

neigh_modify	every 2 delay 4 check yes



group		fast type 1

group		slow type 2

balance		1.0 shift x 5 1.1 &

                weight group 2 fast 1.0 slow ${factor} # out weighted.txt

fix		0 all balance 10 1.0 shift x 5 1.1 &

                weight group 2 fast 1.0 slow ${factor}



fix		1 all nve



#dump		id all atom 50 dump.melt



#dump		2 all image 25 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	2 pad 3



#dump		3 all movie 25 movie.mpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	3 pad 3



thermo		50

run		250

examples/balance/in.balance.group.static

0 → 100644
+54 −0
Original line number Diff line number Diff line 
# 3d Lennard-Jones melt



units		lj

atom_style	atomic

processors      * 1 1



variable	factor index 1.0



lattice		fcc 0.8442

region		box block 0 10 0 10 0 10

create_box	3 box

create_atoms	1 box

mass		* 1.0



region		long block 3 6 0 10 0 10

set             region long type 2



velocity	all create 1.0 87287



pair_style	lj/cut 2.5

pair_coeff	* * 1.0 1.0 2.5

pair_coeff      * 2 1.0 1.0 5.0



neighbor	0.3 bin

neigh_modify	every 2 delay 4 check yes



balance		1.0 shift x 5 1.1 # out unweighted.txt



balance		1.0 x uniform



variable        weight atom (type==1)*1.0+(type==2)*v_factor

balance		1.0 shift x 5 1.1 weight var weight # out weighted_var.txt



balance		1.0 x uniform



group		fast type 1

group		slow type 2

balance		1.0 shift x 5 1.1 &

                weight group 2 fast 1.0 slow ${factor} # out weighted_group.txt



fix		1 all nve



#dump		id all atom 50 dump.melt



#dump		2 all image 25 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	2 pad 3



#dump		3 all movie 25 movie.mpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	3 pad 3



thermo		50

run		250

examples/balance/in.balance.kspace

0 → 100644
+47 −0
Original line number Diff line number Diff line 
# 3d Lennard-Jones melt



units		lj

#atom_style	charge

processors      * 1 1



lattice		fcc 0.8442

region		box block 0 10 0 10 0 10

create_box	3 box

create_atoms	1 box

mass		* 1.0



region		long block 3 6 0 10 0 10

set             region long type 2

#set type 1:2    charge 0.0



velocity	all create 1.0 87287



pair_style	lj/long/coul/long long off 2.5

pair_coeff	* * 1.0 1.0 2.5

pair_coeff      * 2 1.0 1.0 5.0



kspace_style    pppm/disp 1.0e-4

kspace_modify   gewald/disp 0.1



neighbor	0.3 bin

neigh_modify	every 2 delay 4 check yes



group		fast type 1

group		slow type 2

fix		0 all balance 20 1.0 shift x 5 1.0 &

                weight group 2 fast 1.0 slow 2.0 weight time 0.66



fix		1 all nve



#dump		id all atom 50 dump.melt



#dump		2 all image 25 image.*.jpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	2 pad 3



#dump		3 all movie 25 movie.mpg type type &

#		axes yes 0.8 0.02 view 60 -30

#dump_modify	3 pad 3



thermo		50

run		500

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