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Re: [lammps-users] About accesing pair potential.
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Re: [lammps-users] About accesing pair potential.


From: Giacomo Fiorin <giacomo.fiorin@...24...>
Date: Tue, 1 May 2018 12:00:29 -0400

It looks like you replied with an email on a different subject, directly to me and without copying the list while still addressing "anyone" for help.

You also already got an answer to this very question (January 11).  Whether you are unwilling to follow that answer, or unprepared to understand the doc, that is your problem to solve.

In summary, you can't ask for free help with your work while hiding from Axel at the same time.

Giacomo

On Tue, May 1, 2018 at 11:48 AM, Arun Bikram Thapa <aaron.thapa143@...92......> wrote:
Hi Fiorin,

 This might be simple question and i went through manual as well but I could't find the exact command to do so. May be I missed it or could't exactly figure it out.
What I want here is to run a simulation in a loop.

Eg 

#sample
fix 1 upper deform 1000 z vel 0.5 
{
fix 2 mobile  nvt temp 300 300 1
run 1000
}
run 10000
So what i want to do is after each deformation i want to thermally relax sample for1000 time step. And I want this loop for another 10000 time step.
Could anyone suggest me the way. (p.s. this is for quasi static loading on nanotube)


Thanks 


On Fri, Apr 13, 2018 at 6:18 PM, Giacomo Fiorin <giacomo.fiorin@...24...> wrote:
The documentation for pair_coeff:
http://lammps.sandia.gov/doc/pair_coeff.html
explains how to control where LAMMPS find such files.  Needless to say, it can be a directory writable by you.

Giacomo

On Fri, Apr 13, 2018 at 6:08 PM, Arun Bikram Thapa <aaron.thapa143@...24...> wrote:
Hi all,
We are using LAMMPS to run our simulation and we need to change a rc_min in AIREBO potential file. For that I need access to the lammps directory where potential file is available and I can change it. But in our cluster we cannot change things ,for that we need to bring potential file to our own directory and call LAMMPS to access from here. But I couldn't find the way to access this potential from my directory.
Is there any way that I can access just the pair potential from my local directory.

Thanks 
Arun


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--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD




--
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD