make melt input consistent with melt example again
This commit is contained in:
@ -7,7 +7,7 @@ lattice fcc 0.8442
|
|||||||
region box block 0 10 0 10 0 10
|
region box block 0 10 0 10 0 10
|
||||||
create_box 1 box
|
create_box 1 box
|
||||||
create_atoms 1 box
|
create_atoms 1 box
|
||||||
mass 1 1.0
|
mass * 1.0
|
||||||
|
|
||||||
velocity all create 3.0 87287
|
velocity all create 3.0 87287
|
||||||
|
|
||||||
@ -15,7 +15,7 @@ pair_style python 2.5
|
|||||||
pair_coeff * * lj-melt-potential.py lj
|
pair_coeff * * lj-melt-potential.py lj
|
||||||
|
|
||||||
neighbor 0.3 bin
|
neighbor 0.3 bin
|
||||||
neigh_modify every 10 delay 0 check no
|
neigh_modify every 20 delay 0 check no
|
||||||
|
|
||||||
fix 1 all nve
|
fix 1 all nve
|
||||||
|
|
||||||
@ -48,7 +48,7 @@ pair_style python 2.5
|
|||||||
pair_coeff * * lj-melt-potential.py lj
|
pair_coeff * * lj-melt-potential.py lj
|
||||||
|
|
||||||
neighbor 0.3 bin
|
neighbor 0.3 bin
|
||||||
neigh_modify every 10 delay 0 check no
|
neigh_modify every 20 delay 0 check no
|
||||||
|
|
||||||
fix 1 all nve
|
fix 1 all nve
|
||||||
|
|
||||||
|
|||||||
Reference in New Issue
Block a user