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ProgrammingExercises-liji-1999
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nio
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A program for carrying our Natural Ionization Orbital analysis.
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gaussianIntegrals
gaussianIntegrals PublicForked from hphratchian/gaussianIntegrals
This repo includes code to test out ideas for carrying basis sets in a program using MQCPack and calculating limited gaussian integrals with MQCPack.
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