Psi4
Files
ccdensity: Computes the Coupled-Cluster Density

Files

file  add_core_ROHF.cc
 Enter brief description of file here.
 
file  add_core_UHF.cc
 Enter brief description of file here.
 
file  add_ref.cc
 Enter brief description of file here.
 
file  add_ref_RHF.cc
 Enter brief description of file here.
 
file  add_ref_ROHF.cc
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file  add_ref_UHF.cc
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file  ael.cc
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file  build_A.cc
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file  build_A_RHF.cc
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file  build_A_ROHF.cc
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file  build_A_UHF.cc
 Enter brief description of file here.
 
file  build_ex_tdensity.cc
 Enter brief description of file here.
 
file  build_X.cc
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file  build_Z.cc
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file  build_Z_RHF.cc
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file  build_Z_ROHF.cc
 Enter brief description of file here.
 
file  build_Z_UHF.cc
 Enter brief description of file here.
 
file  ccdensity/cache.cc
 Enter brief description of file here.
 
file  ccdensity.cc
 Enter brief description of file here.
 
file  classify.cc
 Enter brief description of file here.
 
file  deanti.cc
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file  deanti_RHF.cc
 Enter brief description of file here.
 
file  deanti_ROHF.cc
 Enter brief description of file here.
 
file  deanti_UHF.cc
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file  densgrid_RHF.cc
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file  distribute.cc
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file  dump_RHF.cc
 Enter brief description of file here.
 
file  dump_ROHF.cc
 Enter brief description of file here.
 
file  dump_UHF.cc
 Enter brief description of file here.
 
file  ccdensity/energy.cc
 Calculates the one- and two-electron CC energies using the coresponding one- and two-particle density matrices.
 
file  energy_RHF.cc
 Calculates the one- and two-electron CC energies using the coresponding one- and two-particle density matrices.
 
file  energy_ROHF.cc
 Calculates the one- and two-electron CC energies using the coresponding one- and two-particle density matrices.
 
file  energy_UHF.cc
 Calculates the one- and two-electron CC energies using the coresponding one- and two-particle density matrices.
 
file  ex_oscillator_strength.cc
 Enter brief description of file here.
 
file  ex_rotational_strength.cc
 Enter brief description of file here.
 
file  ex_sort_td_rohf.cc
 Enter brief description of file here.
 
file  ex_sort_td_uhf.cc
 Enter brief description of file here.
 
file  ex_td_cleanup.cc
 Enter brief description of file here.
 
file  ex_td_print.cc
 Enter brief description of file here.
 
file  ex_td_setup.cc
 Enter brief description of file here.
 
file  ex_tdensity.cc
 Enter brief description of file here.
 
file  ex_tdensity_intermediates.cc
 Enter brief description of file here.
 
file  file_build.cc
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file  fold.cc
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file  fold_RHF.cc
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file  fold_ROHF.cc
 Enter brief description of file here.
 
file  fold_UHF.cc
 Enter brief description of file here.
 
file  Frozen.h
 Enter brief description of file here.
 
file  ccdensity/G.cc
 Enter brief description of file here.
 
file  G_norm.cc
 Enter brief description of file here.
 
file  Gabcd.cc
 Enter brief description of file here.
 
file  Gciab.cc
 Enter brief description of file here.
 
file  get_frozen.cc
 Enter brief description of file here.
 
file  ccdensity/get_moinfo.cc
 Enter brief description of file here.
 
file  ccdensity/get_params.cc
 Enter brief description of file here.
 
file  get_rho_params.cc
 Enter brief description of file here.
 
file  get_td_params.cc
 Enter brief description of file here.
 
file  Gibja.cc
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file  Gijab.cc
 Enter brief description of file here.
 
file  Gijab_RHF.cc
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file  Gijab_ROHF.cc
 Enter brief description of file here.
 
file  Gijab_UHF.cc
 Enter brief description of file here.
 
file  Gijka.cc
 Enter brief description of file here.
 
file  Gijkl.cc
 Enter brief description of file here.
 
file  ccdensity/globals.h
 Enter brief description of file here.
 
file  Iab.cc
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file  Iai.cc
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file  idx_error.cc
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file  idx_permute.cc
 Enter brief description of file here.
 
file  Iia.cc
 Enter brief description of file here.
 
file  Iij.cc
 Enter brief description of file here.
 
file  ccdensity/kinetic.cc
 Computes the kinetic energy and the virial ratio for CC wave functions.
 
file  lag.cc
 Enter brief description of file here.
 
file  ltdensity.cc
 Enter brief description of file here.
 
file  ltdensity_intermediates.cc
 Enter brief description of file here.
 
file  ccdensity/MOInfo.h
 Enter brief description of file here.
 
file  ccdensity/norm.cc
 Enter brief description of file here.
 
file  onepdm.cc
 Enter brief description of file here.
 
file  oscillator_strength.cc
 Enter brief description of file here.
 
file  ccdensity/Params.h
 Enter brief description of file here.
 
file  relax_D.cc
 Enter brief description of file here.
 
file  relax_I.cc
 Enter brief description of file here.
 
file  relax_I_RHF.cc
 Enter brief description of file here.
 
file  relax_I_ROHF.cc
 Enter brief description of file here.
 
file  relax_I_UHF.cc
 Enter brief description of file here.
 
file  resort_gamma.cc
 Enter brief description of file here.
 
file  resort_tei.cc
 Enter brief description of file here.
 
file  rotational_strength.cc
 Enter brief description of file here.
 
file  rtdensity.cc
 Enter brief description of file here.
 
file  setup_LR.cc
 Enter brief description of file here.
 
file  sort_ltd_rohf.cc
 Enter brief description of file here.
 
file  sort_ltd_uhf.cc
 Enter brief description of file here.
 
file  sort_rtd_rohf.cc
 Enter brief description of file here.
 
file  sort_rtd_uhf.cc
 Enter brief description of file here.
 
file  sortI.cc
 Enter brief description of file here.
 
file  sortI_RHF.cc
 Enter brief description of file here.
 
file  sortI_ROHF.cc
 Enter brief description of file here.
 
file  sortI_UHF.cc
 Enter brief description of file here.
 
file  sortone.cc
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file  sortone_RHF.cc
 Enter brief description of file here.
 
file  sortone_ROHF.cc
 Enter brief description of file here.
 
file  sortone_UHF.cc
 Enter brief description of file here.
 
file  td_cleanup.cc
 Enter brief description of file here.
 
file  td_print.cc
 Enter brief description of file here.
 
file  td_setup.cc
 Enter brief description of file here.
 
file  tdensity.cc
 Enter brief description of file here.
 
file  transdip.cc
 Enter brief description of file here.
 
file  transL.cc
 Enter brief description of file here.
 
file  transp.cc
 Enter brief description of file here.
 
file  twopdm.cc
 Enter brief description of file here.
 
file  V.cc
 Enter brief description of file here.
 
file  V_cc2.cc
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file  x_Gabcd.cc
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file  x_Gciab.cc
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file  x_Gciab_uhf.cc
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file  x_Gibja.cc
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file  x_Gibja_uhf.cc
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file  x_Gijab.cc
 Enter brief description of file here.
 
file  x_Gijab_uhf.cc
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file  x_Gijka.cc
 Enter brief description of file here.
 
file  x_Gijka_uhf.cc
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file  x_Gijkl.cc
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file  x_oe_intermediates.cc
 Enter brief description of file here.
 
file  x_oe_intermediates_rhf.cc
 Enter brief description of file here.
 
file  x_onepdm.cc
 Enter brief description of file here.
 
file  x_onepdm_uhf.cc
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file  x_te_intermediates.cc
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file  x_te_intermediates_rhf.cc
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file  x_V.cc
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file  x_xi1.cc
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file  x_xi1_connected.cc
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file  x_xi1_rhf.cc
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file  x_xi1_uhf.cc
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file  x_xi2.cc
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file  x_xi2_rhf.cc
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file  x_xi2_uhf.cc
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file  x_xi_check.cc
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file  x_xi_intermediates.cc
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file  zero_pdm.cc
 Enter brief description of file here.
 

Detailed Description