GitHub

[BUG] python->LAMMPS->python patterns broken on some interpreters.

When opening lammps using the python interface to the shared library, commands that invoke the interpreter from inside lammps can cause fatal errors. LAMMPS Version and Platform LAMMPS Versions: ...
GitHub

Python_install.rst

If you want Python to be able to load different versions of the LAMMPS shared library with different settings, you will need to manually copy the files under different names (e.g. liblammps_mpi.so or ...
note

【技術メモ】PythonでMD法を準備して、転位ループの挙動を“これ ...

今回は、分子動力学（MD）シミュレーションの環境をPythonで整えて、 転位ループの挙動をもう一度自分の手で観察してみよう、という企画の第1回です。 なぜ今MDをやるのか？ 昔は自作コードで3000原子を動かしていましたが、 今はPythonとLAMMPSを ...
LinkedIn

Convert AMBER to LAMMPS with Python Utility

If you are working with the AMBER force field and want to run simulations in LAMMPS, you may find this Python utility helpful: 👉 https://lnkd.in/eyDssgGR This repository provides a tool to convert ...