<!DOCTYPE HTML PUBLIC "-//W3C//DTD HTML 4.0 Transitional//EN"> <html><head><meta name="robots" content="noindex"> <meta http-equiv="Content-Type" content="text/html;charset=iso-8859-1"> <title>sc::Int1eV3 class Reference</title> <link href="doxygen.css" rel="stylesheet" type="text/css"> </head><body bgcolor="#ffffff"> <!-- Generated by Doxygen 1.2.5 on Mon Oct 14 14:17:00 2002 --> <center> <a class="qindex" href="index.html">Main Page</a> <a class="qindex" href="hierarchy.html">Class Hierarchy</a> <a class="qindex" href="annotated.html">Compound List</a> <a class="qindex" href="files.html">File List</a> <a class="qindex" href="functions.html">Compound Members</a> <a class="qindex" href="pages.html">Related Pages</a> </center> <hr><h1>sc::Int1eV3 Class Reference</h1><a class="el" href="class_sc__Int2eV3.html">Int2eV3</a> is a class wrapper for the one body part of the C language IntV3 library. <a href="#_details">More...</a> <p> <code>#include <<a class="el" href="int1e_h-source.html">int1e.h</a>></code> <p> Inheritance diagram for sc::Int1eV3<p><center><img src="class_sc__Int1eV3_inherit_graph.gif" border="0" usemap="#sc::Int1eV3_inherit_map" alt="Inheritance graph"></center> <map name="sc::Int1eV3_inherit_map"> <area href="class_sc__RefCount.html" shape="rect" coords="14,80,97,99"> <area href="class_sc__Identity.html" shape="rect" coords="19,13,91,32"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center>Collaboration diagram for sc::Int1eV3:<p><center><img src="class_sc__Int1eV3_coll_graph.gif" border="0" usemap="#sc::Int1eV3_coll_map" alt="Collaboration graph"></center> <map name="sc::Int1eV3_coll_map"> <area href="class_sc__RefCount.html" shape="rect" coords="98,83,181,102"> <area href="class_sc__DescribedClass.html" shape="rect" coords="385,153,499,171"> <area href="class_sc__Identity.html" shape="rect" coords="103,14,175,33"> <area href="class_sc__Ref.html" shape="rect" coords="193,222,361,241"> <area href="class_sc__Integral.html" shape="rect" coords="385,359,457,378"> <area href="class_sc__RefBase.html" shape="rect" coords="238,153,315,171"> <area href="class_sc__Ref.html" shape="rect" coords="65,287,158,306"> <area href="class_sc__Ref.html" shape="rect" coords="385,222,523,241"> <area href="class_sc__SavableState.html" shape="rect" coords="547,222,649,241"> <area href="class_sc__GaussianShell.html" shape="rect" coords="649,359,755,378"> </map> <center><font size="2">[<a href="graph_legend.html">legend</a>]</font></center><a href="class_sc__Int1eV3-members.html">List of all members.</a><table border=0 cellpadding=0 cellspacing=0> <tr><td colspan=2><br><h2>Public Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="a0" doxytag="sc::Int1eV3::Int1eV3"></a> </td><td valign=bottom><b>Int1eV3</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &, const <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > &, int order)</td></tr> <tr><td nowrap align=right valign=top><a name="a1" doxytag="sc::Int1eV3::~Int1eV3"></a> </td><td valign=bottom><b>~Int1eV3</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a2" doxytag="sc::Int1eV3::buffer"></a> double* </td><td valign=bottom><b>buffer</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a3" doxytag="sc::Int1eV3::basis"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>basis</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a4" doxytag="sc::Int1eV3::basis1"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>basis1</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a5" doxytag="sc::Int1eV3::basis2"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>basis2</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="a6" doxytag="sc::Int1eV3::kinetic"></a> void </td><td valign=bottom><b>kinetic</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="a7" doxytag="sc::Int1eV3::nuclear_slow"></a> void </td><td valign=bottom><b>nuclear_slow</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="a8" doxytag="sc::Int1eV3::nuclear"></a> void </td><td valign=bottom><b>nuclear</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="a9" doxytag="sc::Int1eV3::overlap"></a> void </td><td valign=bottom><b>overlap</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="a10" doxytag="sc::Int1eV3::hcore"></a> void </td><td valign=bottom><b>hcore</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="a11" doxytag="sc::Int1eV3::efield"></a> void </td><td valign=bottom><b>efield</b> (int ish, int jsh, double position[3])</td></tr> <tr><td nowrap align=right valign=top><a name="a12" doxytag="sc::Int1eV3::point_charge"></a> void </td><td valign=bottom><b>point_charge</b> (int ish, int jsh, int ncharge, const double *charge, const double *const *position)</td></tr> <tr><td nowrap align=right valign=top><a name="a13" doxytag="sc::Int1eV3::dipole"></a> void </td><td valign=bottom><b>dipole</b> (int ish, int jsh, double *com)</td></tr> <tr><td nowrap align=right valign=top><a name="a14" doxytag="sc::Int1eV3::hcore_1der"></a> void </td><td valign=bottom><b>hcore_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="a15" doxytag="sc::Int1eV3::kinetic_1der"></a> void </td><td valign=bottom><b>kinetic_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="a16" doxytag="sc::Int1eV3::nuclear_1der"></a> void </td><td valign=bottom><b>nuclear_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="a17" doxytag="sc::Int1eV3::overlap_1der"></a> void </td><td valign=bottom><b>overlap_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr> <tr><td colspan=2><br><h2>Protected Methods</h2></td></tr> <tr><td nowrap align=right valign=top><a name="b0" doxytag="sc::Int1eV3::accum_shell_1der"></a> void </td><td valign=bottom><b>accum_shell_1der</b> (double *buff, int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum, double(Int1eV3::*)(int, int, int, int, int, int, int, int))</td></tr> <tr><td nowrap align=right valign=top><a name="b1" doxytag="sc::Int1eV3::accum_shell_block_1der"></a> void </td><td valign=bottom><b>accum_shell_block_1der</b> (double *buff, int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum, void(Int1eV3::*shell_block_function)(int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double *buffer))</td></tr> <tr><td nowrap align=right valign=top><a name="b2" doxytag="sc::Int1eV3::comp_shell_overlap"></a> double </td><td valign=bottom><b>comp_shell_overlap</b> (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b3" doxytag="sc::Int1eV3::comp_prim_overlap"></a> double </td><td valign=bottom><b>comp_prim_overlap</b> (int i1, int j1, int k1, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b4" doxytag="sc::Int1eV3::comp_shell_kinetic"></a> double </td><td valign=bottom><b>comp_shell_kinetic</b> (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b5" doxytag="sc::Int1eV3::comp_prim_kinetic"></a> double </td><td valign=bottom><b>comp_prim_kinetic</b> (int i1, int j1, int k1, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b6" doxytag="sc::Int1eV3::comp_shell_nuclear"></a> double </td><td valign=bottom><b>comp_shell_nuclear</b> (int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b7" doxytag="sc::Int1eV3::accum_shell_efield"></a> void </td><td valign=bottom><b>accum_shell_efield</b> (double *buff, int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="b8" doxytag="sc::Int1eV3::accum_shell_block_efield"></a> void </td><td valign=bottom><b>accum_shell_block_efield</b> (double *buff, int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="b9" doxytag="sc::Int1eV3::comp_prim_nuclear"></a> double </td><td valign=bottom><b>comp_prim_nuclear</b> (int i1, int j1, int k1, int i2, int j2, int k2, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b10" doxytag="sc::Int1eV3::comp_shell_efield"></a> void </td><td valign=bottom><b>comp_shell_efield</b> (double *efield, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b11" doxytag="sc::Int1eV3::comp_shell_block_efield"></a> void </td><td valign=bottom><b>comp_shell_block_efield</b> (int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double *buffer)</td></tr> <tr><td nowrap align=right valign=top><a name="b12" doxytag="sc::Int1eV3::comp_prim_efield"></a> double </td><td valign=bottom><b>comp_prim_efield</b> (int xyz, int i1, int j1, int k1, int i2, int j2, int k2, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b13" doxytag="sc::Int1eV3::comp_shell_dipole"></a> void </td><td valign=bottom><b>comp_shell_dipole</b> (double *dipole, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b14" doxytag="sc::Int1eV3::comp_prim_dipole"></a> double </td><td valign=bottom><b>comp_prim_dipole</b> (int axis, int i1, int j1, int k1, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b15" doxytag="sc::Int1eV3::comp_shell_block_nuclear"></a> void </td><td valign=bottom><b>comp_shell_block_nuclear</b> (int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double *buffer)</td></tr> <tr><td nowrap align=right valign=top><a name="b16" doxytag="sc::Int1eV3::comp_prim_block_nuclear"></a> void </td><td valign=bottom><b>comp_prim_block_nuclear</b> (int a, int b)</td></tr> <tr><td nowrap align=right valign=top><a name="b17" doxytag="sc::Int1eV3::comp_prim_block_nuclear_build_a"></a> void </td><td valign=bottom><b>comp_prim_block_nuclear_build_a</b> (int a, int b, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b18" doxytag="sc::Int1eV3::comp_prim_block_nuclear_build_b"></a> void </td><td valign=bottom><b>comp_prim_block_nuclear_build_b</b> (int b, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b19" doxytag="sc::Int1eV3::comp_prim_block_efield"></a> void </td><td valign=bottom><b>comp_prim_block_efield</b> (int a, int b)</td></tr> <tr><td nowrap align=right valign=top><a name="b20" doxytag="sc::Int1eV3::comp_prim_block_efield_build_a"></a> void </td><td valign=bottom><b>comp_prim_block_efield_build_a</b> (int a, int b, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b21" doxytag="sc::Int1eV3::comp_prim_block_efield_build_b"></a> void </td><td valign=bottom><b>comp_prim_block_efield_build_b</b> (int b, int m)</td></tr> <tr><td nowrap align=right valign=top><a name="b22" doxytag="sc::Int1eV3::int_accum_shell_overlap_1der"></a> void </td><td valign=bottom><b>int_accum_shell_overlap_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b23" doxytag="sc::Int1eV3::int_done_1e"></a> void </td><td valign=bottom><b>int_done_1e</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="b24" doxytag="sc::Int1eV3::int_initialize_1e"></a> void </td><td valign=bottom><b>int_initialize_1e</b> (int flags, int order)</td></tr> <tr><td nowrap align=right valign=top><a name="b25" doxytag="sc::Int1eV3::int_prim_overlap"></a> double </td><td valign=bottom><b>int_prim_overlap</b> (shell_t *pshell1, shell_t *pshell2, double *pA, double *pB, int prim1, int prim2, int i1, int j1, int k1, int i2, int j2, int k2)</td></tr> <tr><td nowrap align=right valign=top><a name="b26" doxytag="sc::Int1eV3::int_accum_shell_kinetic"></a> void </td><td valign=bottom><b>int_accum_shell_kinetic</b> (int ish, int jsh)</td></tr> <tr><td nowrap align=right valign=top><a name="b27" doxytag="sc::Int1eV3::int_accum_shell_kinetic_1der"></a> void </td><td valign=bottom><b>int_accum_shell_kinetic_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b28" doxytag="sc::Int1eV3::int_accum_shell_nuclear_1der"></a> void </td><td valign=bottom><b>int_accum_shell_nuclear_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b29" doxytag="sc::Int1eV3::int_accum_shell_nuclear_hfc_1der"></a> void </td><td valign=bottom><b>int_accum_shell_nuclear_hfc_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b30" doxytag="sc::Int1eV3::int_accum_shell_nuclear_hf_1der"></a> void </td><td valign=bottom><b>int_accum_shell_nuclear_hf_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b31" doxytag="sc::Int1eV3::int_accum_shell_nuclear_nonhf_1der"></a> void </td><td valign=bottom><b>int_accum_shell_nuclear_nonhf_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b32" doxytag="sc::Int1eV3::int_accum_shell_efield"></a> void </td><td valign=bottom><b>int_accum_shell_efield</b> (int ish, int jsh, double *position)</td></tr> <tr><td nowrap align=right valign=top><a name="b33" doxytag="sc::Int1eV3::int_accum_shell_point_charge"></a> void </td><td valign=bottom><b>int_accum_shell_point_charge</b> (int ish, int jsh, int ncharge, const double *charge, const double *const *position)</td></tr> <tr><td nowrap align=right valign=top><a name="b34" doxytag="sc::Int1eV3::int_shell_nuclear_hf_1der"></a> void </td><td valign=bottom><b>int_shell_nuclear_hf_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b35" doxytag="sc::Int1eV3::int_shell_nuclear_nonhf_1der"></a> void </td><td valign=bottom><b>int_shell_nuclear_nonhf_1der</b> (int ish, int jsh, <a class="el" href="class_sc__Ref.html">Ref</a>< <a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr> <tr><td nowrap align=right valign=top><a name="b36" doxytag="sc::Int1eV3::int_accum_shell_dipole"></a> void </td><td valign=bottom><b>int_accum_shell_dipole</b> (int ish, int jsh, double *com)</td></tr> <tr><td nowrap align=right valign=top><a name="b37" doxytag="sc::Int1eV3::int_initialize_offsets1"></a> void </td><td valign=bottom><b>int_initialize_offsets1</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="b38" doxytag="sc::Int1eV3::int_done_offsets1"></a> void </td><td valign=bottom><b>int_done_offsets1</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="b39" doxytag="sc::Int1eV3::transform_init"></a> void </td><td valign=bottom><b>transform_init</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="b40" doxytag="sc::Int1eV3::transform_done"></a> void </td><td valign=bottom><b>transform_done</b> ()</td></tr> <tr><td nowrap align=right valign=top><a name="b41" doxytag="sc::Int1eV3::source_space"></a> void </td><td valign=bottom><b>source_space</b> (int nsource)</td></tr> <tr><td nowrap align=right valign=top><a name="b42" doxytag="sc::Int1eV3::copy_to_source"></a> void </td><td valign=bottom><b>copy_to_source</b> (double *integrals, int nsource)</td></tr> <tr><td nowrap align=right valign=top><a name="b43" doxytag="sc::Int1eV3::do_transform_1e"></a> void </td><td valign=bottom><b>do_transform_1e</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr> <tr><td nowrap align=right valign=top><a name="b44" doxytag="sc::Int1eV3::transform_1e"></a> void </td><td valign=bottom><b>transform_1e</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr> <tr><td nowrap align=right valign=top><a name="b45" doxytag="sc::Int1eV3::accum_transform_1e"></a> void </td><td valign=bottom><b>accum_transform_1e</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr> <tr><td nowrap align=right valign=top><a name="b46" doxytag="sc::Int1eV3::transform_1e"></a> void </td><td valign=bottom><b>transform_1e</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2)</td></tr> <tr><td nowrap align=right valign=top><a name="b47" doxytag="sc::Int1eV3::accum_transform_1e"></a> void </td><td valign=bottom><b>accum_transform_1e</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2)</td></tr> <tr><td nowrap align=right valign=top><a name="b48" doxytag="sc::Int1eV3::transform_1e_xyz"></a> void </td><td valign=bottom><b>transform_1e_xyz</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2)</td></tr> <tr><td nowrap align=right valign=top><a name="b49" doxytag="sc::Int1eV3::accum_transform_1e_xyz"></a> void </td><td valign=bottom><b>accum_transform_1e_xyz</b> (<a class="el" href="class_sc__Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> *sh2)</td></tr> <tr><td colspan=2><br><h2>Protected Attributes</h2></td></tr> <tr><td nowrap align=right valign=top><a name="n0" doxytag="sc::Int1eV3::integral_"></a> <a class="el" href="class_sc__Integral.html">Integral</a>* </td><td valign=bottom><b>integral_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n1" doxytag="sc::Int1eV3::bs1_"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>bs1_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n2" doxytag="sc::Int1eV3::bs2_"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>bs2_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n3" doxytag="sc::Int1eV3::fjttable_"></a> double* </td><td valign=bottom><b>fjttable_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n4" doxytag="sc::Int1eV3::fjt_"></a> <a class="el" href="class_sc__Ref.html">Ref</a><FJT> </td><td valign=bottom><b>fjt_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n5" doxytag="sc::Int1eV3::bs1_shell_offset_"></a> int </td><td valign=bottom><b>bs1_shell_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n6" doxytag="sc::Int1eV3::bs2_shell_offset_"></a> int </td><td valign=bottom><b>bs2_shell_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n7" doxytag="sc::Int1eV3::bs1_func_offset_"></a> int </td><td valign=bottom><b>bs1_func_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n8" doxytag="sc::Int1eV3::bs2_func_offset_"></a> int </td><td valign=bottom><b>bs2_func_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n9" doxytag="sc::Int1eV3::bs1_prim_offset_"></a> int </td><td valign=bottom><b>bs1_prim_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n10" doxytag="sc::Int1eV3::bs2_prim_offset_"></a> int </td><td valign=bottom><b>bs2_prim_offset_</b></td></tr> <tr><td nowrap align=right valign=top><a name="n11" doxytag="sc::Int1eV3::oo2zeta_a"></a> double </td><td valign=bottom><b>oo2zeta_a</b></td></tr> <tr><td nowrap align=right valign=top><a name="n12" doxytag="sc::Int1eV3::oo2zeta_b"></a> double </td><td valign=bottom><b>oo2zeta_b</b></td></tr> <tr><td nowrap align=right valign=top><a name="n13" doxytag="sc::Int1eV3::sMus"></a> double </td><td valign=bottom><b>sMus</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n14" doxytag="sc::Int1eV3::sTs"></a> double </td><td valign=bottom><b>sTs</b></td></tr> <tr><td nowrap align=right valign=top><a name="n15" doxytag="sc::Int1eV3::xi"></a> double </td><td valign=bottom><b>xi</b></td></tr> <tr><td nowrap align=right valign=top><a name="n16" doxytag="sc::Int1eV3::A"></a> double </td><td valign=bottom><b>A</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n17" doxytag="sc::Int1eV3::B"></a> double </td><td valign=bottom><b>B</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n18" doxytag="sc::Int1eV3::C"></a> double </td><td valign=bottom><b>C</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n19" doxytag="sc::Int1eV3::ss"></a> double </td><td valign=bottom><b>ss</b></td></tr> <tr><td nowrap align=right valign=top><a name="n20" doxytag="sc::Int1eV3::PmA"></a> double </td><td valign=bottom><b>PmA</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n21" doxytag="sc::Int1eV3::PmB"></a> double </td><td valign=bottom><b>PmB</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n22" doxytag="sc::Int1eV3::PmC"></a> double </td><td valign=bottom><b>PmC</b> [3]</td></tr> <tr><td nowrap align=right valign=top><a name="n23" doxytag="sc::Int1eV3::zeta"></a> double </td><td valign=bottom><b>zeta</b></td></tr> <tr><td nowrap align=right valign=top><a name="n24" doxytag="sc::Int1eV3::oo2zeta"></a> double </td><td valign=bottom><b>oo2zeta</b></td></tr> <tr><td nowrap align=right valign=top><a name="n25" doxytag="sc::Int1eV3::gshell1"></a> <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a>* </td><td valign=bottom><b>gshell1</b></td></tr> <tr><td nowrap align=right valign=top><a name="n26" doxytag="sc::Int1eV3::gshell2"></a> <a class="el" href="class_sc__GaussianShell.html">GaussianShell</a> * </td><td valign=bottom><b>gshell2</b></td></tr> <tr><td nowrap align=right valign=top><a name="n27" doxytag="sc::Int1eV3::exponent_weighted"></a> int </td><td valign=bottom><b>exponent_weighted</b></td></tr> <tr><td nowrap align=right valign=top><a name="n28" doxytag="sc::Int1eV3::scale_shell_result"></a> int </td><td valign=bottom><b>scale_shell_result</b></td></tr> <tr><td nowrap align=right valign=top><a name="n29" doxytag="sc::Int1eV3::result_scale_factor"></a> double </td><td valign=bottom><b>result_scale_factor</b></td></tr> <tr><td nowrap align=right valign=top><a name="n30" doxytag="sc::Int1eV3::three_center"></a> int </td><td valign=bottom><b>three_center</b></td></tr> <tr><td nowrap align=right valign=top><a name="n31" doxytag="sc::Int1eV3::third_centers"></a> <a class="el" href="class_sc__Ref.html">Ref</a><<a class="el" href="class_sc__GaussianBasisSet.html">GaussianBasisSet</a>> </td><td valign=bottom><b>third_centers</b></td></tr> <tr><td nowrap align=right valign=top><a name="n32" doxytag="sc::Int1eV3::third_centernum"></a> int </td><td valign=bottom><b>third_centernum</b></td></tr> <tr><td nowrap align=right valign=top><a name="n33" doxytag="sc::Int1eV3::init_order"></a> int </td><td valign=bottom><b>init_order</b></td></tr> <tr><td nowrap align=right valign=top><a name="n34" doxytag="sc::Int1eV3::buff"></a> double* </td><td valign=bottom><b>buff</b></td></tr> <tr><td nowrap align=right valign=top><a name="n35" doxytag="sc::Int1eV3::cartesianbuffer"></a> double* </td><td valign=bottom><b>cartesianbuffer</b></td></tr> <tr><td nowrap align=right valign=top><a name="n36" doxytag="sc::Int1eV3::cartesianbuffer_scratch"></a> double* </td><td valign=bottom><b>cartesianbuffer_scratch</b></td></tr> <tr><td nowrap align=right valign=top><a name="n37" doxytag="sc::Int1eV3::mu"></a> int </td><td valign=bottom><b>mu</b></td></tr> <tr><td nowrap align=right valign=top><a name="n38" doxytag="sc::Int1eV3::inter"></a> IntV3Arraydoublep3 </td><td valign=bottom><b>inter</b></td></tr> <tr><td nowrap align=right valign=top><a name="n39" doxytag="sc::Int1eV3::efield_inter"></a> IntV3Arraydoublep3 </td><td valign=bottom><b>efield_inter</b></td></tr> <tr><td nowrap align=right valign=top><a name="n40" doxytag="sc::Int1eV3::source"></a> double* </td><td valign=bottom><b>source</b></td></tr> <tr><td nowrap align=right valign=top><a name="n41" doxytag="sc::Int1eV3::nsourcemax"></a> int </td><td valign=bottom><b>nsourcemax</b></td></tr> </table> <hr><a name="_details"></a><h2>Detailed Description</h2> <a class="el" href="class_sc__Int2eV3.html">Int2eV3</a> is a class wrapper for the one body part of the C language IntV3 library. <p> It is used by <a class="el" href="class_sc__OneBodyIntV3.html">OneBodyIntV3</a> and <a class="el" href="class_sc__OneBodyDerivIntV3.html">OneBodyDerivIntV3</a> to implement <a class="el" href="class_sc__IntegralV3.html">IntegralV3</a>. <p> <hr>The documentation for this class was generated from the following file:<ul> <li><a class="el" href="int1e_h-source.html">int1e.h</a></ul> <hr> <address> <small> Generated at Mon Oct 14 14:17:00 2002 for <a href="http://aros.ca.sandia.gov/~cljanss/mpqc">MPQC</a> 2.1.2 using the documentation package <a href="http://www.stack.nl/~dimitri/doxygen/index.html">Doxygen</a> 1.2.5. </small> </address> </body> </html>
distrib
>
Mandriva
>
9.1
>
ppc
>
media
>
contrib
>
by-pkgid
>
263386785cefb9ae5d63b926d214d809
>
files
>
250
