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**Is your feature request related to a problem? Please describe.**
I would like to input a .xyz file, and use your analysis tools to calculate RDF, Voronoi index etc. Can you please give me a short e…
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PaCS-Toolkit is a very important and very significant tool, can it support lammps emulators?
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**Summary**
The full regression test shows errors when running several example input scripts.
**LAMMPS Version and Platform**
LAMMPS build info:
- OS: Linux "CentOS Linux 8" 4.18.0-305.3.1…
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hello, i have a unresolved problem due to unknown reasons. When I want to build LAMMPS with cmake, i face a complex problem. The following is my operations.
1. cd lammps
2. mkdir build cd build
3…
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Thanks @liamhuber for the updated version of pyiron_nodes. I have used _main_ to create _dev_joerg_from_main_ and made their some changes. Most of the issues when updating to this version were easy to…
JNmpi updated
2 months ago
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Hello everyone, and thank you @jewettaij for the creation of moltemplate, that is an amazing tool.
Recently, I was trying to use the provided OPLSAA .lt file to run some simulations, but I needed a…
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Hello all,
Very happy with the tools - thank you for maintaining them and integrating with LAMMPS. I am running some vacuum simulations and while increasing the number of GPUs (and mpi ranks), I r…
nec4 updated
3 months ago
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**Description**
Please describe the behavior you would like added to Interchange.
Various things we've discovered about lammps files that are requiring/using some post-generation modification we w…
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From @JNmpi in pyiron/pyiron_contrib#855
> #### Include node containers where the actual node is chosen in the input
> ```python
> wf = Workflow('simple_lammps_calculation')
>
> structure = w…
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Hello velocirobbie
I'm trying to combine the LAMMPS data files created by your software with other LAMMPS molecule-builder tools. I have one question:
Does [this table](https://github.com/veloc…