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XANES_CDIFF
XANES_CDIFF PublicFor 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 Zha…
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Quantum_Chemistry
Quantum_Chemistry PublicForked from ChiCheng45/Gaussium
A Quantum Chemistry program written in Python 3 supporting RHF, UHF, TDHF, CIS, MP2, DFT, CCSD and CCSD(T) methods.
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DIRECT
DIRECT PublicForked from aditi137/DIRECT
Derivative-free Global Optimization Using Space-filling Curves
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ctm4xas
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https://github.com/elistavitski/ctm4xas/fork
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