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


From: Steve Plimpton <sjplimp@...24...>
Date: Sat, 28 Oct 2017 07:36:02 -0600

You can run of 3000 steps with one fix deform command
that strains both xy.  Then unfix it, define another fix deform
command that strains only y.  Then run another 14K steps.
It's all up to you to use the commands the way you want.

Steve

On Thu, Oct 12, 2017 at 9:31 AM, Asadollahzadeh <niliasadollahzadeh@...24...> wrote:
Hi!
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;
Nili

On Thu, Oct 12, 2017 at 4:33 PM, Steve Plimpton <sjplimp@...92......> 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
message.

Steve


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?

Sincerely;
Nili

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