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Re: [lammps-users] problem in combining dump file
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Re: [lammps-users] problem in combining dump file


From: Mathur Nil <nilmathur786@...24...>
Date: Sat, 8 Jul 2017 00:36:00 +0530

hello all,

i am trying to do two phase simulation..

first i equilibrate atoms  at certain temp with periodic boundary condition and npt ensemble..i used simulation box size 0 20 0 20 -21 -1

then i equilibrate atoms at another temp with periodic boundary condition and npt ensemble.. i used simulation box size 0 20 0 20 0 20

then i read this dump file to another simulation box and equilibrate it with certain temp with periodic boundary conditions . simulation box size is 0 20 0 20 -21 20 . i used npt ensemble .

problem is dump file it creates is not shows two different region. they mixed with each other
boundary        p p p

lattice            fcc 4.046
region whole block 0 20 0 20 -21 20 units box
create_box 2 whole

region solid block 0 20 0 20 -21 -1 units box
create_atoms 1 region solid
mass 1 26.98

region liquid block 0 20 0 20 0 20 units box
create_atoms 2 region liquid
mass 2 26.98

read_dump dump_solid 80000 type vx vy vz box yes replace yes 
read_dump dump_liquid 79990 type vx vy vz box yes replace yes

echo screen

group solid type 1
group liquid type 2




dump             5 all custom 10 dump_liquidrelax id type x y z vx vy vz



thanks in advance