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Re: [lammps-users] energy surface
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Re: [lammps-users] energy surface

From: Asadollahzadeh <niliasadollahzadeh@...24...>
Date: Thu, 12 Oct 2017 19:01:36 +0330

I have bi_axial loading with same rate (0.01); 3% in y direction & 17% in x direction. my time step is 0.001, so I need to do run command 3000 time steps for y & 17000 time steps. How can I apply run command that is started loading in 2 direction simultaneously, after 3000 time steps loading on y is stopped and loading on x is continued the remaining 14000 time steps?

So thanks;

On Thu, Oct 12, 2017 at 4:33 PM, Steve Plimpton <sjplimp@...24...> wrote:
Fix deform changes the box size.  You can't have
two commands doing that or they conflict.  You have
a 2 and a 3 - i.e. two commands.  Hence the error


On Tue, Oct 3, 2017 at 8:35 AM, Asadollahzadeh <niliasadollahzadeh@...24...> wrote:
Dear friends;
I want to compute surface of energy so I used loop on the loop, but I get an error as follow :
fix        1 all nvt temp 300 300 0.1
variable srate equal 1.0e10
variable srate1 equal "v_srate / 1.0e12"

variable a loop 20
label loop

fix        2 all deform 1 x erate ${srate1} units box remap x
fix        2 all deform 1 x erate 0.01 units box remap x

variable b loop 20
label loop

fix        3 all deform 1 y erate ${srate1} units box remap x
fix        3 all deform 1 y erate 0.01 units box remap x
run 1
ERROR: More than one fix deform (../fix_deform.cpp:406)
Last command: run 1

Do you have any idea?


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