Sophie

Sophie

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mpqc-2.1.2-4mdk.ppc.rpm

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<hr><h1>sc::MolecularCoor Member List</h1>This is the complete list of members for <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>, including all inherited members.<ul>
<li><a class="el" href="class_sc__MolecularCoor.html#a20">change_coordinates</a>()
<code> [virtual]</code><li><a class="el" href="class_sc__DescribedClass.html#a4">class_desc</a>() const
<li><a class="el" href="class_sc__DescribedClass.html#a5">class_name</a>() const
<li><a class="el" href="class_sc__DescribedClass.html#a6">class_version</a>() const
<li><b>debug_</b> (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [protected]</code><li><a class="el" href="class_sc__RefCount.html#a6">dereference</a>()
<code> [inline]</code><li><b>DescribedClass</b>() (defined in <a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a>)<li><b>DescribedClass</b>(const DescribedClass &amp;) (defined in <a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a>)<li><a class="el" href="class_sc__MolecularCoor.html#a9">dim</a>()=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a5">dim_natom3</a>()
<code> [inline]</code><li><b>dir_restore_state</b>(StateIn &amp;si, const char *objectname, const char *keyword=0) (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<code> [static]</code><li><b>dnatom3_</b> (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [protected]</code><li><a class="el" href="class_sc__MolecularCoor.html#a17">guess_hessian</a>(RefSymmSCMatrix &amp;hessian)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__Identity.html#a1">identifier</a>()
<code> [inline]</code><li><a class="el" href="class_sc__MolecularCoor.html#a18">inverse_hessian</a>(RefSymmSCMatrix &amp;)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__SavableState.html#d2">key_restore_state</a>(StateIn &amp;si, const char *keyword)
<code> [static]</code><li><a class="el" href="class_sc__RefCount.html#a1">lock_ptr</a>() const
<li><a class="el" href="class_sc__RefCount.html#a7">managed</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__RefCount.html#a9">managed</a>() const
<code> [inline]</code><li><b>matrixkit</b>() const (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [inline]</code><li><b>matrixkit_</b> (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [protected]</code><li><b>MolecularCoor</b>(Ref&lt; Molecule &gt; &amp;) (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<li><b>MolecularCoor</b>(StateIn &amp;) (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<li><a class="el" href="class_sc__MolecularCoor.html#a2">MolecularCoor</a>(const Ref&lt; KeyVal &gt; &amp;)
<li><a class="el" href="class_sc__MolecularCoor.html#a6">molecule</a>() const
<code> [inline]</code><li><b>molecule_</b> (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [protected]</code><li><a class="el" href="class_sc__MolecularCoor.html#a19">nconstrained</a>()
<code> [virtual]</code><li><a class="el" href="class_sc__RefCount.html#a4">nreference</a>() const
<code> [inline]</code><li><b>operator=</b>(const SavableState &amp;) (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<li><b>operator=</b>(const DescribedClass &amp;) (defined in <a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a>)<li><b>operator=</b>(const RefCount &amp;) (defined in <a class="el" href="class_sc__RefCount.html">sc::RefCount</a>)<code> [inline, protected]</code><li><a class="el" href="class_sc__MolecularCoor.html#a7">print</a>(std::ostream &amp;=ExEnv::out0()) const=0
<code> [pure virtual]</code><li><b>print_simples</b>(std::ostream &amp;=ExEnv::out0()) const=0 (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [pure virtual]</code><li><b>RefCount</b>() (defined in <a class="el" href="class_sc__RefCount.html">sc::RefCount</a>)<code> [inline, protected]</code><li><b>RefCount</b>(const RefCount &amp;) (defined in <a class="el" href="class_sc__RefCount.html">sc::RefCount</a>)<code> [inline, protected]</code><li><a class="el" href="class_sc__RefCount.html#a5">reference</a>()
<code> [inline]</code><li><a class="el" href="class_sc__SavableState.html#d1">restore_state</a>(StateIn &amp;si)
<code> [static]</code><li><b>SavableState</b>() (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<code> [protected]</code><li><b>SavableState</b>(const SavableState &amp;) (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<code> [protected]</code><li><a class="el" href="class_sc__SavableState.html#b2">SavableState</a>(StateIn &amp;)
<code> [protected]</code><li><a class="el" href="class_sc__MolecularCoor.html#a4">save_data_state</a>(StateOut &amp;)
<code> [virtual]</code><li><a class="el" href="class_sc__SavableState.html#a3">save_object_state</a>(StateOut &amp;)
<li><a class="el" href="class_sc__SavableState.html#a2">save_state</a>(StateOut &amp;)
<li><b>save_state</b>(SavableState *s, StateOut &amp;) (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<code> [static]</code><li><a class="el" href="class_sc__SavableState.html#a4">save_vbase_state</a>(StateOut &amp;)
<code> [virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a10">to_cartesian</a>(const RefSCVector &amp;internal)
<li><b>to_cartesian</b>(const Ref&lt; Molecule &gt; &amp;mol, const RefSCVector &amp;internal)=0 (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a13">to_cartesian</a>(RefSCVector &amp;cartesian, RefSCVector &amp;internal)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a15">to_cartesian</a>(RefSymmSCMatrix &amp;cartesian, RefSymmSCMatrix &amp;internal)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a12">to_internal</a>(RefSCVector &amp;internal)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a14">to_internal</a>(RefSCVector &amp;internal, RefSCVector &amp;cartesian)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__MolecularCoor.html#a16">to_internal</a>(RefSymmSCMatrix &amp;internal, RefSymmSCMatrix &amp;cartesian)=0
<code> [pure virtual]</code><li><a class="el" href="class_sc__RefCount.html#a2">unlock_ptr</a>() const
<li><a class="el" href="class_sc__RefCount.html#a8">unmanage</a>()
<code> [inline]</code><li><a class="el" href="class_sc__RefCount.html#a3">use_locks</a>(bool inVal)
<li><b>~DescribedClass</b>() (defined in <a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a>)<code> [virtual]</code><li><b>~Identity</b>() (defined in <a class="el" href="class_sc__Identity.html">sc::Identity</a>)<code> [virtual]</code><li><b>~MolecularCoor</b>() (defined in <a class="el" href="class_sc__MolecularCoor.html">sc::MolecularCoor</a>)<code> [virtual]</code><li><b>~RefCount</b>() (defined in <a class="el" href="class_sc__RefCount.html">sc::RefCount</a>)<code> [virtual]</code><li><b>~SavableState</b>() (defined in <a class="el" href="class_sc__SavableState.html">sc::SavableState</a>)<code> [virtual]</code></ul>
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