Sophie

Sophie

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mpqc-2.1.2-4mdk.ppc.rpm

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<hr><h1>sc::GaussianShell Member List</h1>This is the complete list of members for <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>, including all inherited members.<ul>
<li><a class="el" href="class_sc__GaussianShell.html#a13">am</a>(int con) const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a16">amchar</a>(int con) const
<code> [inline]</code><li><b>Cartesian</b> enum value (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<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><a class="el" href="class_sc__GaussianShell.html#a25">coefficient_norm</a>(int con, int prim) const
<li><a class="el" href="class_sc__GaussianShell.html#a24">coefficient_unnorm</a>(int con, int prim) const
<code> [inline]</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><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><a class="el" href="class_sc__GaussianShell.html#a32">equiv</a>(const GaussianShell *s)
<li><a class="el" href="class_sc__GaussianShell.html#a26">exponent</a>(int iprim) const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a33">extent</a>(double threshold) const
<li><a class="el" href="class_sc__GaussianShell.html#a0">GaussianShell</a>(int ncn, int nprm, double *e, int *am, int *pure, double **c, PrimitiveType pt=GaussianShell::Normalized)
<li><a class="el" href="class_sc__GaussianShell.html#a1">GaussianShell</a>(int ncn, int nprm, double *e, int *am, GaussianType pure, double **c, PrimitiveType pt=GaussianShell::Normalized)
<li><a class="el" href="class_sc__GaussianShell.html#a2">GaussianShell</a>(const Ref&lt; KeyVal &gt; &amp;)
<li><a class="el" href="class_sc__GaussianShell.html#a3">GaussianShell</a>(StateIn &amp;)
<li><a class="el" href="class_sc__GaussianShell.html#a4">GaussianShell</a>(const Ref&lt; KeyVal &gt; &amp;,int pure)
<li><b>GaussianType</b> enum name (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<li><a class="el" href="class_sc__GaussianShell.html#a28">grad_values</a>(CartesianIter **, SphericalTransformIter **, const SCVector3 &amp;R, double *g_values, double *basis_values=0) const
<li><a class="el" href="class_sc__GaussianShell.html#a23">has_pure</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a29">hessian_values</a>(CartesianIter **, SphericalTransformIter **, const SCVector3 &amp;R, double *h_values, double *g_values=0, double *basis_values=0) const
<li><a class="el" href="class_sc__Identity.html#a1">identifier</a>()
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a21">is_cartesian</a>(int con) const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a22">is_pure</a>(int con) const
<code> [inline]</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><a class="el" href="class_sc__GaussianShell.html#a14">max_am</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a10">max_angular_momentum</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a12">max_cartesian</a>() const
<li><a class="el" href="class_sc__GaussianShell.html#a15">min_am</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a11">min_angular_momentum</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a34">monobound</a>(double r) const
<li><a class="el" href="class_sc__GaussianShell.html#a18">ncartesian</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a20">ncartesian</a>(int con) const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a19">ncartesian_with_aminc</a>(int aminc) const
<li><a class="el" href="class_sc__GaussianShell.html#a8">ncontraction</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a9">nfunction</a>() const
<code> [inline]</code><li><a class="el" href="class_sc__GaussianShell.html#a17">nfunction</a>(int con) const
<li><b>Normalized</b> enum value (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<li><a class="el" href="class_sc__GaussianShell.html#a7">nprimitive</a>() const
<code> [inline]</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><b>PrimitiveType</b> enum name (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<li><a class="el" href="class_sc__GaussianShell.html#a35">print</a>(std::ostream &amp;=ExEnv::out0()) const
<code> [virtual]</code><li><b>Pure</b> enum value (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<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__GaussianShell.html#a30">relative_overlap</a>(const Ref&lt; Integral &gt; &amp;, int con, int func1, int func2) const
<li><a class="el" href="class_sc__GaussianShell.html#a31">relative_overlap</a>(int con, int a1, int b1, int c1, int a2, int b2, int c2) const
<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__GaussianShell.html#a6">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__RefCount.html#a2">unlock_ptr</a>() const
<li><a class="el" href="class_sc__RefCount.html#a8">unmanage</a>()
<code> [inline]</code><li><b>Unnormalized</b> enum value (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<li><a class="el" href="class_sc__RefCount.html#a3">use_locks</a>(bool inVal)
<li><a class="el" href="class_sc__GaussianShell.html#a27">values</a>(CartesianIter **, SphericalTransformIter **, const SCVector3 &amp;r, double *basis_values)
<li><b>~DescribedClass</b>() (defined in <a class="el" href="class_sc__DescribedClass.html">sc::DescribedClass</a>)<code> [virtual]</code><li><b>~GaussianShell</b>() (defined in <a class="el" href="class_sc__GaussianShell.html">sc::GaussianShell</a>)<li><b>~Identity</b>() (defined in <a class="el" href="class_sc__Identity.html">sc::Identity</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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