<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.01 Transitional//EN"> <html><head><meta http-equiv="Content-Type" content="text/html;charset=UTF-8"> <title>MPQC: Member List</title> <link href="tabs.css" rel="stylesheet" type="text/css"> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body> <!-- Generated by Doxygen 1.5.9 --> <div class="navigation" id="top"> <div class="tabs"> <ul> <li><a href="index.html"><span>Main Page</span></a></li> <li><a href="pages.html"><span>Related Pages</span></a></li> <li class="current"><a href="annotated.html"><span>Classes</span></a></li> <li><a href="files.html"><span>Files</span></a></li> </ul> </div> <div class="tabs"> <ul> <li><a href="annotated.html"><span>Class List</span></a></li> <li><a href="hierarchy.html"><span>Class Hierarchy</span></a></li> <li><a href="functions.html"><span>Class Members</span></a></li> </ul> </div> </div> <div class="contents"> <h1>sc::SymmMolecularCoor Member List</h1>This is the complete list of members for <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>, including all inherited members.<p><table> <tr bgcolor="#f0f0f0"><td><b>all_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#a89a090c044744365312040ff9528b26">all_to_cartesian</a>(const Ref< Molecule > &, RefSCVector &internal)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#55f7770423c8938405873022682caa00">all_to_internal</a>(const Ref< Molecule > &, RefSCVector &internal)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>bends_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>bonds_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>cartesian_tolerance_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#725dbd9d25fe74220e1c7c62fa5c6ed9">change_coordinates</a>()</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>change_coordinates_</b> (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [protected]</code></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>constant_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>coordinate_tolerance_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>debug_</b> (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>decouple_bends_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>decouple_bonds_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></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 &) (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 class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#bd7aa208768aa7d73c4c297afa71c4ee">dim</a>()</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>dim_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#5fc5a6d43e18eef10cf5aa935e5288ac">dim_natom3</a>()</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [inline]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>dir_restore_state</b>(StateIn &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 bgcolor="#f0f0f0"><td><b>dnatom3_</b> (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>dvc_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>extra_bonds_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>extras_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>fixed_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>followed_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#1ea9e5291c26430b81a10ebf0b57692b">form_coordinates</a>(int keep_variable=0)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>form_K_matrix</b>(RefSCDimension &dredundant, RefSCDimension &dfixed, RefSCMatrix &K, int *&is_totally_symmetric) (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>form_print_constant_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>form_print_molecule_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>form_print_simples_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>form_print_variable_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>generator_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>given_fixed_values_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#8cae52410dfbe5938c5140d19cab3f9e">guess_hessian</a>(RefSymmSCMatrix &hessian)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</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_1SymmMolecularCoor.html#180608a2f1f2ffc8b94a9de8c8fc8c9c">init</a>()</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [protected, virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>IntMolecularCoor</b>(StateIn &) (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td></td></tr> <tr bgcolor="#f0f0f0"><td><b>IntMolecularCoor</b>(Ref< Molecule > &mol) (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#2501d63e5a43d7b52a05c5a4e93ab4a2">IntMolecularCoor</a>(const Ref< KeyVal > &)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#a4ec750e3f4f0639e9258c17069aa617">inverse_hessian</a>(RefSymmSCMatrix &)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#6ef0380c1ff52586e335a15dc37c519e">key_restore_state</a>(StateIn &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 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 bgcolor="#f0f0f0"><td><b>matrixkit</b>() const (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [inline]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>matrixkit_</b> (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>max_kappa2_</b> (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>max_update_disp_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>max_update_steps_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>MolecularCoor</b>(Ref< Molecule > &) (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td></td></tr> <tr bgcolor="#f0f0f0"><td><b>MolecularCoor</b>(StateIn &) (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#437fd51e976b04977253deb20118831a">MolecularCoor</a>(const Ref< KeyVal > &)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#68da761e347a750cfe78dd0a88efd303">molecule</a>() const </td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [inline]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>molecule_</b> (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#685047449bd5a66b680e9c496600f16d">nconstrained</a>()</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#1e1630dbf9f92c4f12074bd5ba390e74">new_coords</a>()</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected, virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>nextra_bonds_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</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 bgcolor="#f0f0f0"><td><b>only_totally_symmetric_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>operator=</b>(const SavableState &) (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 &) (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 &) (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>outs_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#2027da3ddc7dff5ce186cd02de7e18ed">print</a>(std::ostream &=ExEnv::out0()) const </td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>print_constant</b>(std::ostream &=ExEnv::out0()) const (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>print_simples</b>(std::ostream &=ExEnv::out0()) const (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>print_variable</b>(std::ostream &=ExEnv::out0()) const (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#26215d8423d02b9fc94e15f58db3687c">read_keyval</a>(const Ref< KeyVal > &)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected, virtual]</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 &) (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 class="memlist"><td><a class="el" href="classsc_1_1SavableState.html#01c14e9cff8a3a586e9cb36bcd049799">restore_state</a>(StateIn &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 &) (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 &)</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_1SymmMolecularCoor.html#745a15439fab967060259ed08a8fdf91">save_data_state</a>(StateOut &)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</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 &)</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 &)</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 &) (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 &)</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>scale_bends_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>scale_bonds_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>scale_outs_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>scale_tors_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>simple_tolerance_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>symmetry_tolerance_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>SymmMolecularCoor</b>(Ref< Molecule > &mol) (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td></td></tr> <tr bgcolor="#f0f0f0"><td><b>SymmMolecularCoor</b>(StateIn &) (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1SymmMolecularCoor.html#86c25018a4c4e2484eee7ff116516dcf">SymmMolecularCoor</a>(const Ref< KeyVal > &)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td></td></tr> <tr bgcolor="#f0f0f0"><td><b>to_cartesian</b>(const Ref< Molecule > &, const RefSCVector &internal) (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#d64a4814cb18363af4d481810f4e0867">to_cartesian</a>(RefSCVector &cartesian, RefSCVector &internal)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#af431a88deca1d6a8abfd0fb73037e14">to_cartesian</a>(RefSymmSCMatrix &cart, RefSymmSCMatrix &internal)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#c234658f57d5212978052ba0a2caf149">sc::MolecularCoor::to_cartesian</a>(const RefSCVector &internal)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#b5bfec4710f8617431fb2d79f8209691">to_internal</a>(RefSCVector &internal)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#6b0602fe05e7747a0b51e6c3e3eb35b3">to_internal</a>(RefSCVector &internal, RefSCVector &cartesian)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1IntMolecularCoor.html#d2b4b320c87590497875f1edb7a0c0a1">to_internal</a>(RefSymmSCMatrix &internal, RefSymmSCMatrix &cart)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>tors_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>transform_hessian_</b> (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [protected]</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>update_bmat_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></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>variable_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>watched_</b> (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [protected]</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>~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>~IntMolecularCoor</b>() (defined in <a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1IntMolecularCoor.html">sc::IntMolecularCoor</a></td><td><code> [virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>~MolecularCoor</b>() (defined in <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [virtual]</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> [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>~SymmMolecularCoor</b>() (defined in <a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a>)</td><td><a class="el" href="classsc_1_1SymmMolecularCoor.html">sc::SymmMolecularCoor</a></td><td><code> [virtual]</code></td></tr> </table></div> <hr> <address> <small> Generated at Wed Oct 14 14:12:13 2009 for <a href="http://www.mpqc.org">MPQC</a> 2.3.1 using the documentation package <a href="http://www.doxygen.org">Doxygen</a> 1.5.9. </small> </address> </body> </html>