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1. miscellaneous-codes-for-computational-chemistry-and-computational-physics miscellaneous-codes-for-computational-chemistry-and-computational-physics Public

   Various codes written by myself for various purposes mainly in computational chemistry and computational physics

   Python

2. abacus-agent abacus-agent Public

   Forked from deepmodeling/ABACUS-agent-tools

   MCP tools to connect LLMs and ABACUS jobs

   Python

3. abacus-test abacus-test Public

   Forked from pxlxingliang/abacus-test

   do the performance test of ABACUS

   Python

4. AI4S-agent-tools AI4S-agent-tools Public

   Forked from deepmodeling/AI4S-agent-tools

   Collecting a variety of Agent-Ready tool modules

   Python

5. MatMaster MatMaster Public

   Forked from AnguseZhang/MatMaster

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6. abacus-develop abacus-develop Public

   Forked from deepmodeling/abacus-develop

   An electronic structure package based on either plane wave basis or numerical atomic orbitals.

   C++