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Re: [lammps-users] PyLammps breakdown when using atoms list
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Re: [lammps-users] PyLammps breakdown when using atoms list

From: Xiuyang Xia <xiuyang.xia@...24...>
Date: Sat, 11 Nov 2017 17:12:02 +0800

Here is the output in log.lammps:

print "$(x[1])"
ERROR: Indexed per-atom vector in variable formula without atom map (../variable.cpp:4307)
Last command: $(x[1]

在 2017年11月11日,下午4:58,Xiuyang Xia <xiuyang.xia@...24...> 写道:

The LAMMPS version is updated (23 Oct 2017), but the same problem appeared again. The “atoms” list seems like make IPython (jupyter notebook) breakdown.
Details are listed below.


在 2017年11月10日,上午11:35,Axel Kohlmeyer <akohlmey@...24...> 写道:

On Thu, Nov 9, 2017 at 8:55 PM, Xiuyang Xia <xiuyang.xia@...29....> wrote:
LAMMPS (11 Aug 2017)

I use PyLammps in iPython (jupyter notebook) in my Mac. The input is based on .in file in /examples/melt and translate it to PyLammps format according to manual. But when I input “L.atoms[0].position”, the iPython breakdown immediately. Different lists or objects, such on runs, system, fixes, computes, don’t occur the problem.

​please update LAMMPS to the latest version (23 Oct 2017 currently) and try again.



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Dr. Axel Kohlmeyer  akohlmey@...36.....24...
College of Science & Technology, Temple University, Philadelphia PA, USA
International Centre for Theoretical Physics, Trieste. Italy.