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I am trying to perform Hexane tutorial. I finished the atomistic simulation of hexane and got the A-A, A-B, B-B rd's and bond and angle distribution also. Now, while I am trying to to the IBI coarse g…
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Dear Author：
An error occured. I used "pip3 install moltemplate" to install latest version, then I typed "moltemplate.sh system.lt" and it told me that :
moltemplate.sh v2.17.10 2020-6-12
Tra…
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Hello,
Thanks for all these great tutorials! I got stuck with the delete_atoms command. I am looking at the LAMMPS documentation and comparing codes and I can't see where I am going wrong, yet I cont…
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Before I begin, thanks a lot for making these tutorials available. I've a doubt here. In tutorial 3, after the initial equilibration, the simulation box is deformed
> in the x-direction at a strai…
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**Summary**
Trying to run the following tutorial:
[https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Tutorial_1](https://icme.hpc.msstate.edu/mediawiki/index.php/LAMMPS_Tutorial_1)
When I …
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**Summary**
I am building LAMMPS with MPI on Windows 10 using minGW as follows:
`cmake -C ../cmake/presets/most.cmake -C ../cmake/presets/nolib.cmake -D BUILD_MPI=yes -D LAMMPS_MACHINE=mpi -D C…
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using the test script
```
using MPI
MPI.Init()
@show MPI.has_cuda()
```
fails with
```
ERROR: ERROR: ERROR: ERROR: LoadError: LoadError: LoadError: LoadError: ccall: could not find fun…
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@tonigi mentioned the possibility to distribute PLUMED binaries through conda (see #411). This would amount basically to distributing the driver, the library, and the python wrappers.
[Here]( https…
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Hi,
Thanks a lot for this helpful extension !
I think autocompletion and quick access to the docs would be much beneficial to new users (Lammps is hard to learn !). What I can think of is :
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On ubuntu it cannot find the executable name "lammps" as it is looking for "lmp". So no test starts