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ctm4xas

https://github.com/elistavitski/ctm4xas/fork

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Derivative-free Global Optimization Using Space-filling Curves

pdiff

qtfitit

quantum_chemistry

A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.

ssr-v2ray-trojan

机场推荐与机场评测

xanes_cdiff

For XANES fit and Difference XANES fit.This is a test Windows version of the difference XANES fitting tool CDIFF. Author：Fei Zhan, Ye Tao group, Haifeng Zhao group, BingBing Zhang,Darui Sun,Yan Zhang,Yan Huang,Hao Wang,Xu Wei,Can Yu, Institute of High Energy Physics，Chinese Academy of Sciences. It will change to open software at a proper time.

xas3d

IHEP BSRF Zhaohf Group. We construct a 3D graph neural network model XAS3D to simulate XANES. It turns to be faster than the traditional XANES fitting method when we combine the simulation model and XANES optimization algorithm to fit the 3D structure of the given system.

xasdaml

IHEP BSRF Zhaohf Group