<!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::MolecularCoor Member List</h1>This is the complete list of members for <a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a>, including all inherited members.<p><table> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#873e195bb693f0a273c747faab9efac8">change_coordinates</a>()</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [virtual]</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>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 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_1MolecularCoor.html#e20bdd64024c7f3f2b8094eefacc7e75">dim</a>()=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</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 class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#ea8b31d1d1cadd406a3144386c9ff319">guess_hessian</a>(RefSymmSCMatrix &hessian)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure 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_1MolecularCoor.html#a949edd8c4255cd315ac6941df1d11cd">inverse_hessian</a>(RefSymmSCMatrix &)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure 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>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_1MolecularCoor.html#0b3263836a90a58f4f0e8687d41cdb38">nconstrained</a>()</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [virtual]</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>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 class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#5e812a148b0daff55c1df8eaec602b45">print</a>(std::ostream &=ExEnv::out0()) const =0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</code></td></tr> <tr bgcolor="#f0f0f0"><td><b>print_simples</b>(std::ostream &=ExEnv::out0()) const =0 (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> [pure 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_1MolecularCoor.html#8f470ddfd0fce4d003edd0a2e46e66bb">save_data_state</a>(StateOut &)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</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 class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#c234658f57d5212978052ba0a2caf149">to_cartesian</a>(const RefSCVector &internal)</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td></td></tr> <tr bgcolor="#f0f0f0"><td><b>to_cartesian</b>(const Ref< Molecule > &mol, const RefSCVector &internal)=0 (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> [pure virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#4b4e9a86ad34d29ef2aad83c9945ca3d">to_cartesian</a>(RefSCVector &cartesian, RefSCVector &internal)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#59a92948dee19c878d373effcfef2790">to_cartesian</a>(RefSymmSCMatrix &cartesian, RefSymmSCMatrix &internal)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#051e2b86547707e1159e2bcfe689b7b2">to_internal</a>(RefSCVector &internal)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#18c3ba45c3385d5bd5da4016e9e759d2">to_internal</a>(RefSCVector &internal, RefSCVector &cartesian)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure virtual]</code></td></tr> <tr class="memlist"><td><a class="el" href="classsc_1_1MolecularCoor.html#bd3e76e31e1adfdc7844f26af3e8d726">to_internal</a>(RefSymmSCMatrix &internal, RefSymmSCMatrix &cartesian)=0</td><td><a class="el" href="classsc_1_1MolecularCoor.html">sc::MolecularCoor</a></td><td><code> [pure 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 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>~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>~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> </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>