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Re: [lammps-users] fix ti/spring
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Re: [lammps-users] fix ti/spring


From: pmoreira@...527...
Date: Wed, 21 Jun 2017 10:52:53 -0300

 It works smoothly. Thanks, Axel.

Citando Axel Kohlmeyer <akohlmey@...24...>:

On Wed, Jun 21, 2017 at 9:12 AM, <pmoreira@...527...> wrote:

Dear LAMMPS users,

I tried to run the example 'thermodynamic integration' by user Freitas. I
used a LAMMPS version from March and a serial executable. LAMMPS does not
recognize the style. You can see my run command and the ouput below. I can
not figure out why. Can someone give any idea? Do I need to compile any
additional package (which?)?


​you have to install the USER-MISC package. i see, that the fix ti/spring
documentation does not state this. it will be updated accordingly in the
next LAMMPS patch.

axel.​




Thanks in advance,

Pedro Moreira

##################

$ ./lmp_serial < in.ti_spring
LAMMPS (31 Mar 2017)
Lattice spacing in x,y,z = 3.621 3.621 3.621
Created orthogonal box = (0 0 0) to (14.484 14.484 14.484)
  1 by 1 by 1 MPI processor grid
Created 256 atoms
Reading potential file ../../../../potentials/Cu_mishin1.eam.alloy with
DATE: 2007-10-12
ERROR: Unknown fix style ti/spring (../modify.cpp:847)
Last command:   fix               f2 all ti/spring 3.728 2000 1000
function 2


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--
Dr. Axel Kohlmeyer  akohlmey@...24...  http://goo.gl/1wk0
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.