forked from lijiext/lammps
41 lines
1.1 KiB
Plaintext
41 lines
1.1 KiB
Plaintext
variable T equal 0.8
|
|
variable p_solid equal 0.05
|
|
|
|
read_data data.mop
|
|
|
|
pair_style lj/cut 2.5
|
|
pair_coeff * * 1.0 1.0
|
|
pair_coeff 1 2 0.5 1.0
|
|
pair_coeff 2 2 0.0 0.0
|
|
neigh_modify delay 0
|
|
|
|
group liquid type 1
|
|
group solid type 2
|
|
region bottom block INF INF INF INF INF 7.0
|
|
group bottom region bottom
|
|
group solid_bottom intersect solid bottom
|
|
group solid_up subtract solid solid_bottom
|
|
|
|
variable faSolid equal ${p_solid}*lx*ly/count(solid_up)
|
|
fix piston_up solid_up aveforce NULL NULL -${faSolid}
|
|
fix freeze_up solid_up setforce 0.0 0.0 NULL
|
|
fix freeze_bottom solid_bottom setforce 0.0 0.0 0.0
|
|
fix nvesol solid nve
|
|
compute Tliq liquid temp
|
|
fix nvtliq liquid nvt temp $T $T 0.5
|
|
fix_modify nvtliq temp Tliq
|
|
|
|
thermo 1000
|
|
thermo_modify flush yes temp Tliq
|
|
|
|
fix fxbal all balance 1000 1.05 shift z 10 1.05
|
|
|
|
compute mopz0 all stress/mop z center kin conf
|
|
fix mopz0t all ave/time 1 1 1 c_mopz0[*] file mopz0.time
|
|
|
|
compute moppz liquid stress/mop/profile z 0.0 0.1 kin conf
|
|
fix moppzt all ave/time 1 1 1 c_moppz[*] ave running overwrite file moppz.time mode vector
|
|
|
|
run 0
|
|
|