Dear all,
Still I’m unable to find a way to run two fixes simultaneously. i.e Not able to run set of atoms both in its linear and perpendicular directions.
Input script is below.
‘’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’’
units metal
dimension 3
atom_style atomic
boundary p p p
read_data XXXXX.dat
mass * 12.0
pair_style airebo 3.4 1 1
pair_coeff * * ./CH.airebo C
neighbor 2.0 bin
neigh_modify every 10 delay 50 check no
fix 1 all rigid single
fix 2 all move wiggle 0.0 20.0 0.0 1.0 units box
fix 3 all move linear -5 0.0 0.0 units box
thermo 10
…
…
Every time the output only shows the set of atoms move in linear direction without moving back and forth to its perpendicular direction.
(Even though Axel told that there are many examples none is helping me to sort this issue)
How could I move a set of atoms in both directions (linear and its perpendicular )?
I really appreciate your comments.
Thank you
Best Regards
Buddhika
Message: 3
Dear all,
Still I'm unable to find a way to run two fixes simultaneously. i.e Not able
to run set of atoms both in its linear and perpendicular directions.
this has nothing to do with using multiple fixes, but with ignoring
the documentation and warnings that lammps prints out.
this also is a perfect example of how asking too generic a question
and not providing any example of what you are trying to do can
just waste the time of both the person asking and the ones answering.
you define three (3!) fixes that do the equivalent of time integrating
atoms. there should only be one per atom. the solution is to *only*
use one fix move, but with the variable option plus properly defined
equal style variable. and you don't need fix rigid at all.
Input script is below.
''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''''
units metal
dimension 3
atom_style atomic
boundary p p p
read_data XXXXX.dat
mass * 12.0
pair_style airebo 3.4 1 1
pair_coeff * * ./CH.airebo C
neighbor 2.0 bin
neigh_modify every 10 delay 50 check no
fix 1 all rigid single
fix 2 all move wiggle 0.0 20.0 0.0 1.0 units box
fix 3 all move linear -5 0.0 0.0 units box
thermo 10
...........
................................................................
Every time the output only shows the set of atoms move in linear direction
without moving back and forth to its perpendicular direction.
(Even though Axel told that there are many examples none is helping me to
sort this issue)
you asked for using multiple fixes. not asked about using fixes
in a way that the documentation says, that you should not do.
axel
Dear Axel,
Thanks a lot.
First of all I didn’t get any error messages at all.
Sorry. Here I copied a part of my input script where mistakenly I put it "fix rigid "here.
Best Regards
Buddhika
Dear Axel,
Thanks a lot.
First of all I didn't get any error messages at all.
warning.
Sorry. Here I copied a part of my input script where mistakenly I put it
"fix rigid "here.
just make it a habit to not use "doctored up" inputs,
but create a simple(!) and small complete example
that you can post *completely*. the more effort it
requires to find out what your problem is, the lower
is the chance to get help.
nobody here get paid to help people, so the least
effort it is to find out what is wrong, the more (and
the better!) people can be helped.
axel.
fix 1 all rigid single
This will move all the atoms in your simulation as a single rigid body.
I doubt that is what you want to do.
Steve