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1. deepmd-kit deepmd-kit Public

   Forked from deepmodeling/deepmd-kit

   A deep learning package for many-body potential energy representation and molecular dynamics

   C++

2. lammps lammps Public

   Forked from lammps/lammps

   Public development project of the LAMMPS MD software package

   C++

3. I need to use GAMESS for some MP2 ca... I need to use GAMESS for some MP2 calculations in my next research project. I'm attempting to install it on my MacBook (M1 Max, 64 GB) for quick testing. This gist log documents my installation process and issues as a backup/reminder for future reference.

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   # Installing GAMESS on Apple Silicon

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   I need to use GAMESS for some MP2 calculations in my next research project. I'm attempting to install it on my MacBook (M1 Max, 64 GB) for quick testing. This gist log documents my installation process and issues as a backup/reminder for future me.

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   > 🧑‍💻 GAMESS version: v2024.2.1