Advanced ASE Transition State Tools for ABACUS and Deep-Potential
Deep Potential Evolution Accelerator
COHP based on ABACUS LCAO basis
A tool to create pixel-accurate energy diagrams as ChemDraw object
An agentic skills framework & software development methodology that works.
An electronic structure package based on either plane wave basis or numerical atomic orbitals.
Atomic Coordinate Toolkit for visualizing and editing atomic structures inside VS Code.
MCP tools to connect LLMs and ABACUS jobs
您好！感谢您提出需求！GPUMD 以国产开源和极值效率闻名，一直是我们希望支持的模块，不过 GPUMD 整体来说自成体系，需要做成一个单独的 Agent，工程量相对较大。由于工期排期原因，并且由于 GPUMD 社区已经被樊老师经营得非常容易入门，Agent 驱动的需求较少，我们会优先保证 MACE 和 DeePMD 机器学习势的支持，并保证对 SPONGE 分子动力学模块的优先关注。GPUMD-NEP 排期会稍加靠后。感谢理解！我们会保持与樊老师的沟通！
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