Sophie

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mpqc-html-2.3.1-9mdv2010.0.i586.rpm

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<h1>sc::UnrestrictedSCF Member List</h1>This is the complete list of members for <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>, including all inherited members.<p><table>
  <tr bgcolor="#f0f0f0"><td><b>Access</b> enum name (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Accum</b> enum value (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>accumddh_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>accumdih_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>actual_gradient_accuracy</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>actual_hessian_accuracy</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#75ca40b52a69404c175758a25822ba3c">actual_value_accuracy</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#bc55c686560de200ae019ea10441a71d">alpha_ao_density</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#028522430c1c9ce69c7b3ba15e1ecbfe">alpha_density</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>alpha_eigenvalues</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>alpha_eigenvectors</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#5f502bc050530938c2dad87bfcac801b">alpha_occupation</a>(int, int)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#99b4a37ea89af167f74be7622f7de569">sc::SCF::alpha_occupation</a>(int vectornum)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>alpha_occupations_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>always_use_guess_wfn_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#11f48c8fbddf848a40593adc1b75d8f9">ao_density</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#1d530b90f701f7742139ae15fd04ef98">ao_dimension</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>ao_fock</b>(double accuracy)=0 (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, pure virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#410f2c662fd08d05a8d52d7e5a3a78a4">atom_basis</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#4dc2a0cae324ff059c01fcdbba297ffb">atom_basis_coef</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#ec5ccc56d3724372566a64ef7c1f8efe">basis</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#ce122258ce3720172ae9bee14594b144">basis_matrixkit</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#4294423b8bd2e265b111c41dff6db2f8">beta_ao_density</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#b65761ef52e9c0acf416566385075324">beta_density</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>beta_eigenvalues</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>beta_eigenvectors</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#37d58a2df4ed800b9968e597385f3fd0">beta_occupation</a>(int, int)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#f896ea38bd1a2b22fd42f7a0a1928fda">sc::SCF::beta_occupation</a>(int vectornum)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>beta_occupations_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#10f7fa4c6c89628ddbfca08a7aafbb5b">change_coordinates</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#918c30b19f88bc653edb8d7857209823">charge</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>checkpoint_file</b>() const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>checkpoint_freq</b>() const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1DescribedClass.html#543db7ca087135f8bd28776c2801f930">class_desc</a>() const </td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1DescribedClass.html#4c3305b01115fbfd560a4dc397d4842c">class_name</a>() const </td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1DescribedClass.html#05088e3cd127293ac1c5f61e507c34f9">class_version</a>() const </td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Compute</b>() (defined in <a class="el" href="classsc_1_1Compute.html">sc::Compute</a>)</td><td><a class="el" href="classsc_1_1Compute.html">sc::Compute</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SCF.html#d9e89b4cd32b77a2d9e7fb7d9be73164">compute</a>()</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>compute_gradient</b>(const RefSCVector &amp;) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>compute_guess_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>compute_hessian</b>(const RefSymmSCMatrix &amp;) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>compute_vector</b>(double &amp;, double enuclear) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>copy_orthog_info</b>(const Ref&lt; Wavefunction &gt; &amp;) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#85888cd9b609c25bb135c75a58a448c5">core_hamiltonian</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>debug_</b> (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>dens_reset_freq_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>densa_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>densb_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#87740596068fe4ad2953968c99308e20">density</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>density</b>(const SCVector3 &amp;) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>density_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>density_gradient</b>(const SCVector3 &amp;, double *) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#e391eb4734abf89fde3475bc9b013243">dereference</a>()</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>DescribedClass</b>() (defined in <a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a>)</td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>DescribedClass</b>(const DescribedClass &amp;) (defined in <a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a>)</td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>desired_gradient_accuracy</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>desired_hessian_accuracy</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#5a63f044fa1ea871cf9d14c723f03404">desired_value_accuracy</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>diff_densa_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>diff_densb_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#2f487293d319362639a912be9e9268ae">dim_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#a9d5688f8f8bb8796485e7c8a7a69545">dimension</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>dir_restore_state</b>(StateIn &amp;si, const char *objectname, const char *keyword=0) (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#aebdb9c0bf5645da91d00cb127afecc4">do_change_coordinates</a>(const Ref&lt; NonlinearTransform &gt; &amp;)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>do_gradient</b>(int) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>do_hessian</b>(int) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#57ad99f54082575470644172a2022a5e">do_value</a>(int)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>done_gradient</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>done_hessian</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>done_threads</b>() (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>done_vector</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#e3b4f87fa92b41652ddd1eb814b20cd1">effective_fock</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#725f4054717b8cab6d229654fc9ca3cc">eigenvalues</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>eigenvalues_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>eigenvalues_beta_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#7a0cbbfd06cadcfca14e7ed3a082550b">eigenvectors</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#39c918d7aefc3d389ec8ecbe54f10637">energy</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>extrap_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>extrap_data</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>extrap_error</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>failure</b>(const char *) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#eebfb3222f1428bc5c1f29904d457c7b">fock</a>(int i)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>focka_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>fockb_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>form_occupations</b>(int *&amp;newocc, const int *oldocc) (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Function</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Function</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Function</b>(const Function &amp;) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#9c6e520f3ed51e0c65140717d95e2512">Function</a>(const Ref&lt; KeyVal &gt; &amp;, double funcacc=DBL_EPSILON, double gradacc=DBL_EPSILON, double hessacc=DBL_EPSILON)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#3984fd5f1ad86f80c91e76970c1c00b2">get_cartesian_gradient</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#0419a944538171a7d15f750f475c8171">get_cartesian_hessian</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#25eb3e9547d3f6b62810d5670e3995ba">get_cartesian_x</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>get_local_data</b>(const RefSymmSCMatrix &amp;, double *&amp;, Access) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>get_x</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>get_x_no_copy</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#1287b3d19e716b17e229f731fa4dadc6">get_x_reference</a>()</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline, protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gmata_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gmatb_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gradient</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#ebedf1f0726ee6f6c782ebf81d7d85c1">gradient_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gradient_density</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gradient_implemented</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gradient_needed</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>gradient_result</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#4500df28d0592e910df86571d84588ee">guess_hessian</a>(RefSymmSCMatrix &amp;)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>guess_wfn_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>hcore_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#d9f3fcdc1ab0c5eb61776ffed0b40795">hcore_guess</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#0de595c297e204d415a1e4ebf9a3ec05">hcore_guess</a>(RefDiagSCMatrix &amp;val)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#7ca73b0e3a11675cca9992b0d1bf262f">hessian</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#1bf0316e343e945fce55fb7b25a27764">hessian_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>hessian_implemented</b>() const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>hessian_needed</b>() const  (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>hessian_result</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Identity.html#077335fa5900cf01495cb3fe485382a7">identifier</a>()</td><td><a class="el" href="classsc_1_1Identity.html">sc::Identity</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#c74725251f86f8dc26a098ed911bbaf3">if_to_checkpoint</a>() const </td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_gradient</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_hessian</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_mem</b>(int) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_pmax</b>(double *) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_sym_info</b>() (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_threads</b>() (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>init_vector</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>initial_nalpha_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>initial_nbeta_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>initial_pg_</b> (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>initial_vector</b>(int needv=1) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#0c5bb0c37167037fcea9a17ef7b21534">integral</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>inverse_hessian</b>(RefSymmSCMatrix &amp;) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>keep_guess_wfn_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#6ef0380c1ff52586e335a15dc37c519e">key_restore_state</a>(StateIn &amp;si, const char *keyword)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [static]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>lagrangian</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>level_shift_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#70f812fe60fbf428664de262ab3820a1">lindep_tol</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>local_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>local_dens_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#1c8e9c58bf57dc265d9e842823494cb7">lock_ptr</a>() const </td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>managed</b>() const  (defined in <a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a>)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#25faf9649131022f7f67052aef3d3361">managed</a>() const </td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#86be61bf9d28596b283e65bf101b174b">matrixkit</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#1833a04507ed111de5df37fe0cd71b1b">matrixkit_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>max_orthog_res</b>() (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>maxiter_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>min_orthog_res</b>() (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#b42854ce8ee68ef38f4095345341170a">mo_to_orthog_so</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#4dc096ec03141a8dbc9cc3a997a8d64f">mo_to_so</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>moldim</b>() const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>molecularcoor</b>() (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>MolecularEnergy</b>(const MolecularEnergy &amp;) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#23b2fbe1770bf60480aaf5febcd0e9c0">MolecularEnergy</a>(const Ref&lt; KeyVal &gt; &amp;)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>MolecularEnergy</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#f82f71760057afdb437db198385adcad">molecule</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>molecule_to_x</b>() (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>most_recent_pg_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>n_fock_matrices</b>() const  (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>nalpha_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#a43a759785c1bf2d8823ac1b9eaa3c02">nao</a>(double *atom_charges=0)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#15d1904071949c6760df8cf716e33bb4">natural_density</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>natural_orbital</b>(const SCVector3 &amp;r, int iorb) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>natural_orbital_density</b>(const SCVector3 &amp;r, int orb, double *orbval=0) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#cb59b398c9e9bc23232965620eb0cb99">natural_orbitals</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>nbeta_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>need_vec_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#bd4539434822ff599bfcdbf3dcd64eb3">nelectron</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>new_density</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>nirrep_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#e94a2d6c0083fc7ffd4c3e6e107ce839">nreference</a>() const </td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#9a83a087ec921759bdb13cf1f33686d2">nuclear_repulsion_energy</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#71d65a7e70848c507975622e6e70d1c2">nuclear_repulsion_energy_gradient</a>(double *g)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#0db49011a8627d6374c9184bdafb2a17">nuclear_repulsion_energy_gradient</a>(double **g)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>nvecperirrep_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SCF.html#23f535268f36b17f41747333b17012e7">obsolete</a>()</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#69e0719eaa94ccb81fe7c1bd0b168dfe">occupation</a>(int, int)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#944e233574f6b85e33a542c43ce37c08">sc::SCF::occupation</a>(int vectornum)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>occupations_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>one_body_energy</b>() (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>OneBodyWavefunction</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#20d8550a876e103e7024a0c7b3ffafbc">OneBodyWavefunction</a>(const Ref&lt; KeyVal &gt; &amp;)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const MolecularEnergy &amp;) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const Function &amp;) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const SavableState &amp;) (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const DescribedClass &amp;) (defined in <a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a>)</td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const RefCount &amp;) (defined in <a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a>)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline, protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>orbital</b>(const SCVector3 &amp;r, int iorb) (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>orbital</b>(const SCVector3 &amp;r, int iorb, const RefSCMatrix &amp;orbs) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>orbital_density</b>(const SCVector3 &amp;r, int iorb, double *orbval=0) (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>orbital_density</b>(const SCVector3 &amp;r, int iorb, const RefSCMatrix &amp;orbs, double *orbval=0) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#a183bf91d25fad182eb914358fa822f0">orthog_method</a>() const </td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#a117244acc9baaa39aebc8bf9eb51471">orthog_so_to_mo</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_alpha_eigenvectors</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_beta_eigenvectors</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#d9a10dbb384a4e66695cef9d4f221c45">oso_dimension</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SCF.html#cad190c55838cf48a93b12c0aeb0d2da">oso_eigenvectors</a>()</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_eigenvectors_</b> (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_eigenvectors_beta_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_scf_vector_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>oso_scf_vector_beta_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#75e12a8ea9c8e1b1e42a09efff79d103">overlap</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>previous_savestate_file_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#fd8f565d31a74b031f03ebc660c401a6">print</a>(std::ostream &amp;o=ExEnv::out0()) const </td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>print_all_evals_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>print_molecule_when_changed_</b> (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#a2ee8c2bc231e365279c9da15216d6df">print_natom_3</a>(const RefSCVector &amp;, const char *t=0, std::ostream &amp;o=ExEnv::out0()) const </td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>print_natom_3</b>(double **, const char *t=0, std::ostream &amp;o=ExEnv::out0()) const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>print_natom_3</b>(double *, const char *t=0, std::ostream &amp;o=ExEnv::out0()) const  (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>print_occ_evals_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>projected_eigenvalues</b>(const Ref&lt; OneBodyWavefunction &gt; &amp;, int alp=1) (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#ff019916dfebc5caa394bf6cc3f0ca74">projected_eigenvectors</a>(const Ref&lt; OneBodyWavefunction &gt; &amp;, int alp=1)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Read</b> enum value (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>read_occ</b>(const Ref&lt; KeyVal &gt; &amp;, const char *name, int nirrep) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>RefCount</b>() (defined in <a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a>)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline, protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>RefCount</b>(const RefCount &amp;) (defined in <a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a>)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline, protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#10326b12fc26912be4a78f1e709d16da">reference</a>()</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>reset_density</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>reset_occ_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#01c14e9cff8a3a586e9cb36bcd049799">restore_state</a>(StateIn &amp;si)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [static]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>SavableState</b>() (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>SavableState</b>(const SavableState &amp;) (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#565c4a3a2de82340b0266e7303f933d1">SavableState</a>(StateIn &amp;)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#ea95a6a9cfe22d2e75a71365e5858e09">save_data_state</a>(StateOut &amp;)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#70472a338ac579eeef503aaec97c7776">save_object_state</a>(StateOut &amp;)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#fe8ddc4e284265dcb3174d321471a1b0">save_state</a>(StateOut &amp;)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>save_state</b>(SavableState *s, StateOut &amp;) (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [static]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#4fb1224545c2db5358f3e095792dcffe">save_vbase_state</a>(StateOut &amp;)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>savestate_iter</b>(int) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>savestate_to_file</b>(const std::string &amp;filename) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>SCF</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1SCF.html#af37f4dca254c421ec26234b7950f75f">SCF</a>(const Ref&lt; KeyVal &gt; &amp;)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>scf_energy</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>scf_grp_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_actual_gradient_accuracy</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_actual_hessian_accuracy</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_actual_value_accuracy</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#a31ded722594ff736ce127bd02493170">set_checkpoint</a>()</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_checkpoint_file</b>(const char *) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_checkpoint_freq</b>(int freq) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_desired_gradient_accuracy</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_desired_hessian_accuracy</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#fe98903cee88c8c4dd487c9ab7bfe98d">set_desired_value_accuracy</a>(double eps)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_dimension</b>(const RefSCDimension &amp;) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#91f22cfda8dc508d1ce94479bf81ae41">set_energy</a>(double)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#441d0e26ed9cea2fc38d81dc88dc5ea2">set_gradient</a>(RefSCVector &amp;)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_hessian</b>(RefSymmSCMatrix &amp;) (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#e25891487f52d20bf6533e8437abbaaf">set_lindep_tol</a>(double)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#a76abecd574f7744cd6d93f1bd6b5506">set_matrixkit</a>(const Ref&lt; SCMatrixKit &gt; &amp;)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_occupations</b>(const RefDiagSCMatrix &amp;) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_occupations</b>(const RefDiagSCMatrix &amp;, const RefDiagSCMatrix &amp;) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#b051cb40373590d9d89fbf807397b4ec">set_orthog_method</a>(const OverlapOrthog::OrthogMethod &amp;)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>set_value</b>(double) (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected, virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularEnergy.html#c60a11846b974541a1abeb88dbccdd6a">set_x</a>(const RefSCVector &amp;)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>so_density</b>(const RefSymmSCMatrix &amp;d, double occ, int alp=1) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#bcd9d440a28a5318f332122d2d7a8d4c">so_dimension</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1OneBodyWavefunction.html#00e07c6b67f6877547a2ad32ffd2cb70">so_to_mo</a>()</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#48e89faad9f2ac197527b1805f17a4ca">so_to_orthog_so</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#e68d7904edacb7528274460e99aa7ef9">so_to_orthog_so_inverse</a>()</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#d18a73bd721ea66ada7492ab795aa484">spin_polarized</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#3068b790c3536ca1d789c735469d7b32">spin_unrestricted</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>storage_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1UnrestrictedSCF.html#fcc7f633b37a59e765647f8fd3cad315">symmetry_changed</a>()</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>tbi_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>tbis_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>threadgrp_</b> (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>tnalpha_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>tnbeta_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>two_body_deriv</b>(double *)=0 (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected, pure virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>two_body_deriv_hf</b>(double *grad, double exchange_fraction) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>two_body_energy</b>(double &amp;ec, double &amp;ex) (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#65b50a51d8cb99d806323ffc934fa2c4">unlock_ptr</a>() const </td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#e1ae4f1d5308822563eeafd0bdec0713">unmanage</a>()</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>UnrestrictedSCF</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>UnrestrictedSCF</b>(const Ref&lt; KeyVal &gt; &amp;) (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1RefCount.html#f05189b4c9aff106cef46f1b4c00211a">use_locks</a>(bool inVal)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>user_occupations_</b> (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#36e1b9c157780039752a3ea2e3736875">value</a>()</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#a29fadf89f6ad8ab25e32d92dc9d87ee">value_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#54f1ed14490ca8bc4658989d6a78c1dc">value_implemented</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#fcaa99fe2ff2749d979d151b53ece66f">value_needed</a>() const </td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>value_result</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [inline]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Wavefunction</b>(StateIn &amp;) (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Wavefunction.html#586fe9d82845d5fcf7c1827295c3c25c">Wavefunction</a>(const Ref&lt; KeyVal &gt; &amp;)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>Write</b> enum value (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td><code> [protected]</code></td></tr>
  <tr class="memlist"><td><a class="el" href="classsc_1_1Function.html#2a615bead5bd425bd082708f4b2c58c2">x_</a></td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>x_to_molecule</b>() (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td><code> [protected]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~Compute</b>() (defined in <a class="el" href="classsc_1_1Compute.html">sc::Compute</a>)</td><td><a class="el" href="classsc_1_1Compute.html">sc::Compute</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~DescribedClass</b>() (defined in <a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a>)</td><td><a class="el" href="classsc_1_1DescribedClass.html">sc::DescribedClass</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~Function</b>() (defined in <a class="el" href="classsc_1_1Function.html">sc::Function</a>)</td><td><a class="el" href="classsc_1_1Function.html">sc::Function</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~Identity</b>() (defined in <a class="el" href="classsc_1_1Identity.html">sc::Identity</a>)</td><td><a class="el" href="classsc_1_1Identity.html">sc::Identity</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~MolecularEnergy</b>() (defined in <a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a>)</td><td><a class="el" href="classsc_1_1MolecularEnergy.html">sc::MolecularEnergy</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~OneBodyWavefunction</b>() (defined in <a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a>)</td><td><a class="el" href="classsc_1_1OneBodyWavefunction.html">sc::OneBodyWavefunction</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~RefCount</b>() (defined in <a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a>)</td><td><a class="el" href="classsc_1_1RefCount.html">sc::RefCount</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~SavableState</b>() (defined in <a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a>)</td><td><a class="el" href="classsc_1_1SavableState.html">sc::SavableState</a></td><td><code> [virtual]</code></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~SCF</b>() (defined in <a class="el" href="classsc_1_1SCF.html">sc::SCF</a>)</td><td><a class="el" href="classsc_1_1SCF.html">sc::SCF</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~UnrestrictedSCF</b>() (defined in <a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a>)</td><td><a class="el" href="classsc_1_1UnrestrictedSCF.html">sc::UnrestrictedSCF</a></td><td></td></tr>
  <tr bgcolor="#f0f0f0"><td><b>~Wavefunction</b>() (defined in <a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a>)</td><td><a class="el" href="classsc_1_1Wavefunction.html">sc::Wavefunction</a></td><td><code> [virtual]</code></td></tr>
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