Quantum Package
2.0

Introduction

  • Installation
  • Selected Configuration Interaction

User's guide

  • Quick-start guide
  • Interfaces
  • Excited states
  • Natural orbitals
  • Printing the near-FCI wave function
  • Working with external plugins
  • qp_plugins
  • Index of commands
    • configure
    • qpsh
    • qp_convert_output_to_ezfio
    • qp_create_ezfio
    • qp_edit
    • qp_export_as_tgz
    • qp_plugins
    • qp_run
    • qp_set_frozen_core
    • qp_set_mo_class
    • qp_stop
    • qp_update
  • Index of programs
    • cis
    • cisd
    • diagonalize_h
    • fci
    • fcidump
    • four_idx_transform
    • ks_scf
    • molden
    • print_e_conv
    • print_wf
    • pt2
    • rs_ks_scf
    • save_natorb
    • save_one_e_dm
    • save_ortho_mos
    • scf
    • write_integrals_erf

Programmer's guide

  • Programming in the Quantum Package
  • EZFIO
  • Developing plugins
  • Index for programmers
  • Developing plugins

Appendix

  • Benchmarks
  • Some research made with the Quantum Package
  • License
  • Contributors
Quantum Package
  • Docs »
  • Index of commands
  • View page source

Index of commands¶

  • configure
  • qpsh
  • qp_convert_output_to_ezfio
  • qp_create_ezfio
  • qp_edit
  • qp_export_as_tgz
  • qp_plugins
  • qp_run
  • qp_set_frozen_core
  • qp_set_mo_class
  • qp_stop
  • qp_update

Index of programs¶

  • cis
  • cisd
  • diagonalize_h
  • fci
  • fcidump
  • four_idx_transform
  • ks_scf
  • molden
  • print_e_conv
  • print_wf
  • pt2
  • rs_ks_scf
  • save_natorb
  • save_one_e_dm
  • save_ortho_mos
  • scf
  • write_integrals_erf
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