How to compile LAMMPS with polymlp on macOS (arm) with conda-forge compilers conda create -n lammps conda activate lammps conda install compilers tree Download latest LAMMPS source code https://github.com/lammps/lammps. Download polymlp so…

LAMMPS crystal structure relaxation Quite many options exist in LAMMPS, and I googled to find how to optimize crystal structure. LAMMPSで格子変形を許して構造緩和をする - lan496の日記 It seems no fix command results in relaxation of interna…

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Upgrade conda-forge postgresql from 14 to 15 Assume having old postgresql (v14) db directory exists at /home/username/aiida-proj/psql Upgrade postgresql (14 -> 15) of the current conda env (myproj) Create a new conda env (psql) with old po…