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2.3.1
  • Setting up AutoCAS
  • How to use AutoCAS
  • AutoCAS Design and Terminologies
  • Plotting
  • Interfaces
  • API
  • Release History
scine_autocas
  • »
  • Overview: module code

All modules for which code is available

  • scine_autocas
    • scine_autocas.autocas_utils.active_space
    • scine_autocas.autocas_utils.cas_combination
    • scine_autocas.autocas_utils.diagnostics
    • scine_autocas.autocas_utils.input_handler
    • scine_autocas.autocas_utils.large_active_spaces
    • scine_autocas.autocas_utils.molecule
    • scine_autocas.chemical_elements
    • scine_autocas.interfaces
      • scine_autocas.interfaces.molcas
        • scine_autocas.interfaces.molcas.dumper
        • scine_autocas.interfaces.molcas.environment
        • scine_autocas.interfaces.molcas.input_handler
        • scine_autocas.interfaces.molcas.molcas_hdf5_utils
      • scine_autocas.interfaces.qcmaquis
        • scine_autocas.interfaces.qcmaquis.qcmaquis_hdf5_dataset
        • scine_autocas.interfaces.qcmaquis.qcmaquis_hdf5_utils
        • scine_autocas.interfaces.qcmaquis.qcmaquis_orbital_rdm_builder
      • scine_autocas.interfaces.serenity
    • scine_autocas.plots.entanglement_plot
    • scine_autocas.plots.threshold_plot

© Copyright This code is licensed under the 3-clause BSD license. Copyright ETH Zurich, Department of Chemistry and Applied Biosciences, Reiher Group. See LICENSE.txt for details. .

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