This package is for high through-put computing of XANES to make life easy for people who want to calculate multiple spctrums at the same time. For now, I only enabled FDMNES. In the future version, I will also enable FEFF version.
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Running simulations on LINUX system and on SLURM
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kaifengZheng/SIMU_RUN
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Running simulations on LINUX system and on SLURM
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