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QCBase

Stable Dev Build Status Coverage

Very simply package to provide some general function definitions to be extended by more specific packages as described in the following graph :

graph TD
  QCBase --> InCoreIntegrals
  QCBase --> RDM
  QCBase --> ActiveSpaceSolvers
  QCBase --> ClusterMeanField
  BlockDavidson --> ActiveSpaceSolvers
  InCoreIntegrals --> FermiCG
  RDM --> FermiCG
  QCBase --> FermiCG
  ActiveSpaceSolvers --> FermiCG
  BlockDavidson --> FermiCG
  ActiveSpaceSolvers --> ClusterMeanField
  InCoreIntegrals --> ClusterMeanField
  RDM --> ClusterMeanField
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Base level functions/types for quantum chemistry

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