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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1Int1eV3.html">Int1eV3</a>
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<h1>sc::Int1eV3 Class Reference</h1><!-- doxytag: class="sc::Int1eV3" --><!-- doxytag: inherits="sc::RefCount" --><a class="el" href="classsc_1_1Int1eV3.html" title="Int1eV3 is a class wrapper for the one body part of the C language IntV3 library...">Int1eV3</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="intv3_2int1e_8h_source.html">int1e.h</a>></code>
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Inheritance diagram for sc::Int1eV3:</div>
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<p><center><img src="classsc_1_1Int1eV3.png" usemap="#sc::Int1eV3_map" border="0" alt=""></center>
<map name="sc::Int1eV3_map">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,83,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,83,24">
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<a href="classsc_1_1Int1eV3-members.html">List of all members.</a><table border="0" cellpadding="0" cellspacing="0">
<tr><td></td></tr>
<tr><td colspan="2"><br><h2>Public Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f03d9b1547851dbbbe8d8c554c915749"></a><!-- doxytag: member="sc::Int1eV3::Int1eV3" ref="f03d9b1547851dbbbe8d8c554c915749" args="(Integral *, const Ref< GaussianBasisSet > &, const Ref< GaussianBasisSet > &, int order)" -->
</td><td class="memItemRight" valign="bottom"><b>Int1eV3</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > &, int order)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1dbe4badb79fec2bd07d1ace68bcb7b9"></a><!-- doxytag: member="sc::Int1eV3::buffer" ref="1dbe4badb79fec2bd07d1ace68bcb7b9" args="()" -->
double * </td><td class="memItemRight" valign="bottom"><b>buffer</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1a7376a6c63448121edba7d89d9c94da"></a><!-- doxytag: member="sc::Int1eV3::basis" ref="1a7376a6c63448121edba7d89d9c94da" args="()" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>basis</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="04df91aeceee57cc43687a29eeef0106"></a><!-- doxytag: member="sc::Int1eV3::basis1" ref="04df91aeceee57cc43687a29eeef0106" args="()" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>basis1</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="bcbbc4fa3ff54f39dbcfec305f427fa1"></a><!-- doxytag: member="sc::Int1eV3::basis2" ref="bcbbc4fa3ff54f39dbcfec305f427fa1" args="()" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>basis2</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="da146b4766fc4b5b1dc50f07889a3bca"></a><!-- doxytag: member="sc::Int1eV3::kinetic" ref="da146b4766fc4b5b1dc50f07889a3bca" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>kinetic</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d105c4e87b263272842b02cabc1ed77f"></a><!-- doxytag: member="sc::Int1eV3::nuclear_slow" ref="d105c4e87b263272842b02cabc1ed77f" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>nuclear_slow</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f8caf31832d9eecdb5c98927eb799656"></a><!-- doxytag: member="sc::Int1eV3::nuclear" ref="f8caf31832d9eecdb5c98927eb799656" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>nuclear</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="33aba95f71096cf159a6132d461ac3d6"></a><!-- doxytag: member="sc::Int1eV3::overlap" ref="33aba95f71096cf159a6132d461ac3d6" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>overlap</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0d1ec9c405a2c2cbb268f1ba3a5705ac"></a><!-- doxytag: member="sc::Int1eV3::hcore" ref="0d1ec9c405a2c2cbb268f1ba3a5705ac" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>hcore</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f6b0610cf8aa2efb97d9d0ebfba68904"></a><!-- doxytag: member="sc::Int1eV3::efield" ref="f6b0610cf8aa2efb97d9d0ebfba68904" args="(int ish, int jsh, double position[3])" -->
void </td><td class="memItemRight" valign="bottom"><b>efield</b> (int ish, int jsh, double position[3])</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2838943f1267d01b82ac857ec6453176"></a><!-- doxytag: member="sc::Int1eV3::point_charge" ref="2838943f1267d01b82ac857ec6453176" args="(int ish, int jsh, int ncharge, const double *charge, const double *const *position)" -->
void </td><td class="memItemRight" valign="bottom"><b>point_charge</b> (int ish, int jsh, int ncharge, const double *charge, const double *const *position)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="64c0109105486cf19e6e83ed87b6dd67"></a><!-- doxytag: member="sc::Int1eV3::dipole" ref="64c0109105486cf19e6e83ed87b6dd67" args="(int ish, int jsh, double *com)" -->
void </td><td class="memItemRight" valign="bottom"><b>dipole</b> (int ish, int jsh, double *com)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7c0eae70fd7e3148428da81eee83b0b0"></a><!-- doxytag: member="sc::Int1eV3::hcore_1der" ref="7c0eae70fd7e3148428da81eee83b0b0" args="(int ish, int jsh, int dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>hcore_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7c5a33045e84af1f4fb421f0f78cadb7"></a><!-- doxytag: member="sc::Int1eV3::kinetic_1der" ref="7c5a33045e84af1f4fb421f0f78cadb7" args="(int ish, int jsh, int dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>kinetic_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2bb6ad1f312202d1c0fa4540fade0ff1"></a><!-- doxytag: member="sc::Int1eV3::nuclear_1der" ref="2bb6ad1f312202d1c0fa4540fade0ff1" args="(int ish, int jsh, int dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>nuclear_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="584b6433be4c9db94d7d88a257c850cd"></a><!-- doxytag: member="sc::Int1eV3::overlap_1der" ref="584b6433be4c9db94d7d88a257c850cd" args="(int ish, int jsh, int dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>overlap_1der</b> (int ish, int jsh, int dercs, int centernum)</td></tr>
<tr><td colspan="2"><br><h2>Protected Member Functions</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="80dea24c2f908928b941b5da4cf45a32"></a><!-- doxytag: member="sc::Int1eV3::accum_shell_1der" ref="80dea24c2f908928b941b5da4cf45a32" args="(double *buff, int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum, double(Int1eV3::*)(int, int, int, int, int, int, int, int))" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_shell_1der</b> (double *buff, int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum, double(Int1eV3::*)(int, int, int, int, int, int, int, int))</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="173943dc68296eb8b320135fa50dc4c1"></a><!-- doxytag: member="sc::Int1eV3::accum_shell_block_1der" ref="173943dc68296eb8b320135fa50dc4c1" args="(double *buff, int ish, int jsh, Ref< GaussianBasisSet > 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))" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_shell_block_1der</b> (double *buff, int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="bf97acd12f810e0adcae232eed219694"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_overlap" ref="bf97acd12f810e0adcae232eed219694" args="(int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="cb8fe9d5cef80380a071c0db48f393ee"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_overlap" ref="cb8fe9d5cef80380a071c0db48f393ee" args="(int i1, int j1, int k1, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" valign="bottom"><b>comp_prim_overlap</b> (int i1, int j1, int k1, int i2, int j2, int k2)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="da5e26342f42e1e65b2d35aa4fb842a0"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_kinetic" ref="da5e26342f42e1e65b2d35aa4fb842a0" args="(int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="915cc4519b692915100a511ae8731de4"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_kinetic" ref="915cc4519b692915100a511ae8731de4" args="(int i1, int j1, int k1, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" valign="bottom"><b>comp_prim_kinetic</b> (int i1, int j1, int k1, int i2, int j2, int k2)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="94996bc284675a71688f1dc49b102fcf"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_nuclear" ref="94996bc284675a71688f1dc49b102fcf" args="(int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="34b7a26f9ee4fd86c556ff3b0dad7f31"></a><!-- doxytag: member="sc::Int1eV3::accum_shell_efield" ref="34b7a26f9ee4fd86c556ff3b0dad7f31" args="(double *buff, int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_shell_efield</b> (double *buff, int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="013acef9b24f28e8a1bd6e3372da1526"></a><!-- doxytag: member="sc::Int1eV3::accum_shell_block_efield" ref="013acef9b24f28e8a1bd6e3372da1526" args="(double *buff, int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_shell_block_efield</b> (double *buff, int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ef72afc005b1a5034e3dfdcc9cf20e0c"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_nuclear" ref="ef72afc005b1a5034e3dfdcc9cf20e0c" args="(int i1, int j1, int k1, int i2, int j2, int k2, int m)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a7b71f6817917a7739c7ddce62afb467"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_efield" ref="a7b71f6817917a7739c7ddce62afb467" args="(double *efield, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)" -->
void </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="fbfa0024f2884a12c94fe87019fcea80"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_block_efield" ref="fbfa0024f2884a12c94fe87019fcea80" args="(int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double *buffer)" -->
void </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="15173e70338ede44f3ae224bc4cce0a0"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_efield" ref="15173e70338ede44f3ae224bc4cce0a0" args="(int xyz, int i1, int j1, int k1, int i2, int j2, int k2, int m)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="bb5264aa7dfb2cefb71a579ab04399c1"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_dipole" ref="bb5264aa7dfb2cefb71a579ab04399c1" args="(double *dipole, int gc1, int i1, int j1, int k1, int gc2, int i2, int j2, int k2)" -->
void </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d83078ea50f0d4aa44e4e269af1d82d5"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_dipole" ref="d83078ea50f0d4aa44e4e269af1d82d5" args="(int axis, int i1, int j1, int k1, int i2, int j2, int k2)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4b55bead3774284f8dde26a8a25611d1"></a><!-- doxytag: member="sc::Int1eV3::comp_shell_block_nuclear" ref="4b55bead3774284f8dde26a8a25611d1" args="(int gc1, int a, int gc2, int b, int gcsize2, int gcoff1, int gcoff2, double coef, double *buffer)" -->
void </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d4a750bec69fc362b089706f9be98fc5"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_nuclear" ref="d4a750bec69fc362b089706f9be98fc5" args="(int a, int b)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_nuclear</b> (int a, int b)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="077d9cdf3245bfe6e2aa7c3a8f451522"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_nuclear_build_a" ref="077d9cdf3245bfe6e2aa7c3a8f451522" args="(int a, int b, int m)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_nuclear_build_a</b> (int a, int b, int m)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3d207f489c53425409d66b70dc4c2b11"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_nuclear_build_b" ref="3d207f489c53425409d66b70dc4c2b11" args="(int b, int m)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_nuclear_build_b</b> (int b, int m)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b05ec1b6b51db90466bc2ce832362bd6"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_efield" ref="b05ec1b6b51db90466bc2ce832362bd6" args="(int a, int b)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_efield</b> (int a, int b)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4973d9f99b76652da092e2fb59af7219"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_efield_build_a" ref="4973d9f99b76652da092e2fb59af7219" args="(int a, int b, int m)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_efield_build_a</b> (int a, int b, int m)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="52db186856a8ea61c721dbb6046c386a"></a><!-- doxytag: member="sc::Int1eV3::comp_prim_block_efield_build_b" ref="52db186856a8ea61c721dbb6046c386a" args="(int b, int m)" -->
void </td><td class="memItemRight" valign="bottom"><b>comp_prim_block_efield_build_b</b> (int b, int m)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7c975c2f16c2a7d019a4d3f39b0778cf"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_overlap_1der" ref="7c975c2f16c2a7d019a4d3f39b0778cf" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_overlap_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b50390f980d6e6f2923cc5cf184def7e"></a><!-- doxytag: member="sc::Int1eV3::int_done_1e" ref="b50390f980d6e6f2923cc5cf184def7e" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>int_done_1e</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="410869cfdaf10b004c5a63e384d31983"></a><!-- doxytag: member="sc::Int1eV3::int_initialize_1e" ref="410869cfdaf10b004c5a63e384d31983" args="(int flags, int order)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_initialize_1e</b> (int flags, int order)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c4d11f61a7dfafd968fcaee0b466e8b8"></a><!-- doxytag: member="sc::Int1eV3::int_prim_overlap" ref="c4d11f61a7dfafd968fcaee0b466e8b8" args="(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)" -->
double </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="88e796fdb4b2cfe4801f73a45898b8d2"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_kinetic" ref="88e796fdb4b2cfe4801f73a45898b8d2" args="(int ish, int jsh)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_kinetic</b> (int ish, int jsh)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0b185ccc2bbdd10fc759382b85f41074"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_kinetic_1der" ref="0b185ccc2bbdd10fc759382b85f41074" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_kinetic_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d1b1393de9d8df4314a62f820e51773a"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_nuclear_1der" ref="d1b1393de9d8df4314a62f820e51773a" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_nuclear_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c817125dd6fc31261c00e27bbc6adccf"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_nuclear_hfc_1der" ref="c817125dd6fc31261c00e27bbc6adccf" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_nuclear_hfc_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7166b042c2349042086ff830ca14f9df"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_nuclear_hf_1der" ref="7166b042c2349042086ff830ca14f9df" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_nuclear_hf_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3ba8616fa123a81691545b9fc0a41cda"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_nuclear_nonhf_1der" ref="3ba8616fa123a81691545b9fc0a41cda" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_nuclear_nonhf_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="cf0e6250a94e2529b868cf8a063cbb84"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_efield" ref="cf0e6250a94e2529b868cf8a063cbb84" args="(int ish, int jsh, double *position)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_efield</b> (int ish, int jsh, double *position)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d5ee65775239aac15fdc09b92b4cdaa1"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_point_charge" ref="d5ee65775239aac15fdc09b92b4cdaa1" args="(int ish, int jsh, int ncharge, const double *charge, const double *const *position)" -->
void </td><td class="memItemRight" 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 class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="df75fac13d75d6d465eb1a4ef38eb1c9"></a><!-- doxytag: member="sc::Int1eV3::int_shell_nuclear_hf_1der" ref="df75fac13d75d6d465eb1a4ef38eb1c9" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_shell_nuclear_hf_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f377477a034c7ae16884ba50596b33a4"></a><!-- doxytag: member="sc::Int1eV3::int_shell_nuclear_nonhf_1der" ref="f377477a034c7ae16884ba50596b33a4" args="(int ish, int jsh, Ref< GaussianBasisSet > dercs, int centernum)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_shell_nuclear_nonhf_1der</b> (int ish, int jsh, <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > dercs, int centernum)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0e66c69946e70df63ab8f59f7b2161ad"></a><!-- doxytag: member="sc::Int1eV3::int_accum_shell_dipole" ref="0e66c69946e70df63ab8f59f7b2161ad" args="(int ish, int jsh, double *com)" -->
void </td><td class="memItemRight" valign="bottom"><b>int_accum_shell_dipole</b> (int ish, int jsh, double *com)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0f9309a1fa0e9a53fcf81f3c381d0c1b"></a><!-- doxytag: member="sc::Int1eV3::int_initialize_offsets1" ref="0f9309a1fa0e9a53fcf81f3c381d0c1b" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>int_initialize_offsets1</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1f563ceba9fc0471b627ce0f980759f6"></a><!-- doxytag: member="sc::Int1eV3::int_done_offsets1" ref="1f563ceba9fc0471b627ce0f980759f6" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>int_done_offsets1</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="32049465e14917cef8bb3c76843b2f6c"></a><!-- doxytag: member="sc::Int1eV3::transform_init" ref="32049465e14917cef8bb3c76843b2f6c" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>transform_init</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5a3fbc3679cbcc4fcc0c12f02246f448"></a><!-- doxytag: member="sc::Int1eV3::transform_done" ref="5a3fbc3679cbcc4fcc0c12f02246f448" args="()" -->
void </td><td class="memItemRight" valign="bottom"><b>transform_done</b> ()</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0fcc139f7451860e46376bfc06d3904d"></a><!-- doxytag: member="sc::Int1eV3::source_space" ref="0fcc139f7451860e46376bfc06d3904d" args="(int nsource)" -->
void </td><td class="memItemRight" valign="bottom"><b>source_space</b> (int nsource)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="5ed1513c3e03668d92611d7ea9db12ac"></a><!-- doxytag: member="sc::Int1eV3::copy_to_source" ref="5ed1513c3e03668d92611d7ea9db12ac" args="(double *integrals, int nsource)" -->
void </td><td class="memItemRight" valign="bottom"><b>copy_to_source</b> (double *integrals, int nsource)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1771130e17ea036056d66d0227e2eedd"></a><!-- doxytag: member="sc::Int1eV3::do_transform_1e" ref="1771130e17ea036056d66d0227e2eedd" args="(Integral *integ, double *integrals, GaussianShell *sh1, GaussianShell *sh2, int chunk)" -->
void </td><td class="memItemRight" valign="bottom"><b>do_transform_1e</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="81bfa0105647e9d0695926e02f5a2f64"></a><!-- doxytag: member="sc::Int1eV3::transform_1e" ref="81bfa0105647e9d0695926e02f5a2f64" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2, int chunk)" -->
void </td><td class="memItemRight" valign="bottom"><b>transform_1e</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ec22fcbb304d124cde7f8334b22d4d3b"></a><!-- doxytag: member="sc::Int1eV3::accum_transform_1e" ref="ec22fcbb304d124cde7f8334b22d4d3b" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2, int chunk)" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_transform_1e</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2, int chunk)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="689d50cdba066ed0e8ceafa488a21220"></a><!-- doxytag: member="sc::Int1eV3::transform_1e" ref="689d50cdba066ed0e8ceafa488a21220" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2)" -->
void </td><td class="memItemRight" valign="bottom"><b>transform_1e</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0aa74674ba22c6906acaccc828e3f0fc"></a><!-- doxytag: member="sc::Int1eV3::accum_transform_1e" ref="0aa74674ba22c6906acaccc828e3f0fc" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2)" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_transform_1e</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="dbdda62315755f5515519833d06c4020"></a><!-- doxytag: member="sc::Int1eV3::transform_1e_xyz" ref="dbdda62315755f5515519833d06c4020" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2)" -->
void </td><td class="memItemRight" valign="bottom"><b>transform_1e_xyz</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a92a14e42e96306655771770e443df9f"></a><!-- doxytag: member="sc::Int1eV3::accum_transform_1e_xyz" ref="a92a14e42e96306655771770e443df9f" args="(Integral *integ, double *integrals, double *target, GaussianShell *sh1, GaussianShell *sh2)" -->
void </td><td class="memItemRight" valign="bottom"><b>accum_transform_1e_xyz</b> (<a class="el" href="classsc_1_1Integral.html">Integral</a> *integ, double *integrals, double *target, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh1, <a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> *sh2)</td></tr>
<tr><td colspan="2"><br><h2>Protected Attributes</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="325ee1c7f77cd6a141642e039e3e078d"></a><!-- doxytag: member="sc::Int1eV3::integral_" ref="325ee1c7f77cd6a141642e039e3e078d" args="" -->
<a class="el" href="classsc_1_1Integral.html">Integral</a> * </td><td class="memItemRight" valign="bottom"><b>integral_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b50b507510669ddba0d5a5792e966ab7"></a><!-- doxytag: member="sc::Int1eV3::bs1_" ref="b50b507510669ddba0d5a5792e966ab7" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>bs1_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e4d9082147a2cbed9bd3913b2cd6f20a"></a><!-- doxytag: member="sc::Int1eV3::bs2_" ref="e4d9082147a2cbed9bd3913b2cd6f20a" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>bs2_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="78357688a33c9aa562cd8a693f36f326"></a><!-- doxytag: member="sc::Int1eV3::fjttable_" ref="78357688a33c9aa562cd8a693f36f326" args="" -->
double * </td><td class="memItemRight" valign="bottom"><b>fjttable_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3f2b400d80ab64299e7c4297abc38c5c"></a><!-- doxytag: member="sc::Int1eV3::fjt_" ref="3f2b400d80ab64299e7c4297abc38c5c" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< FJT > </td><td class="memItemRight" valign="bottom"><b>fjt_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="020c4951e4c78e0908649d2814e72317"></a><!-- doxytag: member="sc::Int1eV3::bs1_shell_offset_" ref="020c4951e4c78e0908649d2814e72317" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs1_shell_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="902c1422c0f649aecf990f77a727909b"></a><!-- doxytag: member="sc::Int1eV3::bs2_shell_offset_" ref="902c1422c0f649aecf990f77a727909b" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs2_shell_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ed5deff1fdd4f4502be80a5e84f8c168"></a><!-- doxytag: member="sc::Int1eV3::bs1_func_offset_" ref="ed5deff1fdd4f4502be80a5e84f8c168" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs1_func_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="72ea26e5f0c8f494013fd1743fb99170"></a><!-- doxytag: member="sc::Int1eV3::bs2_func_offset_" ref="72ea26e5f0c8f494013fd1743fb99170" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs2_func_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="af03e3b4be3c567bac0cba778d3a7907"></a><!-- doxytag: member="sc::Int1eV3::bs1_prim_offset_" ref="af03e3b4be3c567bac0cba778d3a7907" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs1_prim_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6def84263dab725cda0865a035c56024"></a><!-- doxytag: member="sc::Int1eV3::bs2_prim_offset_" ref="6def84263dab725cda0865a035c56024" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>bs2_prim_offset_</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ed5488307b745eb93e775ed0ee56e6dd"></a><!-- doxytag: member="sc::Int1eV3::oo2zeta_a" ref="ed5488307b745eb93e775ed0ee56e6dd" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>oo2zeta_a</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="41ea9fa2811d5a53225aba71948ad44f"></a><!-- doxytag: member="sc::Int1eV3::oo2zeta_b" ref="41ea9fa2811d5a53225aba71948ad44f" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>oo2zeta_b</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="62de9b0930682ca786ad576fa8432508"></a><!-- doxytag: member="sc::Int1eV3::sMus" ref="62de9b0930682ca786ad576fa8432508" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>sMus</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ce2553ba61a894b5d8f09b24877472d5"></a><!-- doxytag: member="sc::Int1eV3::sTs" ref="ce2553ba61a894b5d8f09b24877472d5" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>sTs</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="91c194c9fa3434bc017949696c4b8a03"></a><!-- doxytag: member="sc::Int1eV3::xi" ref="91c194c9fa3434bc017949696c4b8a03" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>xi</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="34c4866b551f27f3dcf1055d90f4f56a"></a><!-- doxytag: member="sc::Int1eV3::A" ref="34c4866b551f27f3dcf1055d90f4f56a" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>A</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="91f2e22600a90389f729bcaae7a8d9aa"></a><!-- doxytag: member="sc::Int1eV3::B" ref="91f2e22600a90389f729bcaae7a8d9aa" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>B</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7b0b7b2a1788991c0df1a1500834e82e"></a><!-- doxytag: member="sc::Int1eV3::C" ref="7b0b7b2a1788991c0df1a1500834e82e" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>C</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ba424e12ad885481108bcdd9f46ec06a"></a><!-- doxytag: member="sc::Int1eV3::ss" ref="ba424e12ad885481108bcdd9f46ec06a" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>ss</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="cd6f9286b1204cc406338d57740ddd83"></a><!-- doxytag: member="sc::Int1eV3::PmA" ref="cd6f9286b1204cc406338d57740ddd83" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>PmA</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a8e7a1d108bda066935dcdc060db5ea2"></a><!-- doxytag: member="sc::Int1eV3::PmB" ref="a8e7a1d108bda066935dcdc060db5ea2" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>PmB</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="bac63dc501ab16ceb6c74875fb725530"></a><!-- doxytag: member="sc::Int1eV3::PmC" ref="bac63dc501ab16ceb6c74875fb725530" args="[3]" -->
double </td><td class="memItemRight" valign="bottom"><b>PmC</b> [3]</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4d2ab90bb3526da1fc0610db930b6877"></a><!-- doxytag: member="sc::Int1eV3::zeta" ref="4d2ab90bb3526da1fc0610db930b6877" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>zeta</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e7288ba22074bd45e9dfed133815a4af"></a><!-- doxytag: member="sc::Int1eV3::oo2zeta" ref="e7288ba22074bd45e9dfed133815a4af" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>oo2zeta</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="dacfe9d10f337ee67636f3d05a669ddb"></a><!-- doxytag: member="sc::Int1eV3::gshell1" ref="dacfe9d10f337ee67636f3d05a669ddb" args="" -->
<a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> * </td><td class="memItemRight" valign="bottom"><b>gshell1</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="d30b988c79dab41c530522a69277bd5e"></a><!-- doxytag: member="sc::Int1eV3::gshell2" ref="d30b988c79dab41c530522a69277bd5e" args="" -->
<a class="el" href="classsc_1_1GaussianShell.html">GaussianShell</a> * </td><td class="memItemRight" valign="bottom"><b>gshell2</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1e0f91cf8e758934db6223c618870417"></a><!-- doxytag: member="sc::Int1eV3::exponent_weighted" ref="1e0f91cf8e758934db6223c618870417" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>exponent_weighted</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a96f6bd507eb2aa96840d9e96915194a"></a><!-- doxytag: member="sc::Int1eV3::scale_shell_result" ref="a96f6bd507eb2aa96840d9e96915194a" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>scale_shell_result</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="505216572dadf73dca540a8e7b258dee"></a><!-- doxytag: member="sc::Int1eV3::result_scale_factor" ref="505216572dadf73dca540a8e7b258dee" args="" -->
double </td><td class="memItemRight" valign="bottom"><b>result_scale_factor</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="905d19731f040bc1c6f435c0d4617e6f"></a><!-- doxytag: member="sc::Int1eV3::three_center" ref="905d19731f040bc1c6f435c0d4617e6f" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>three_center</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="e58efc7d369c1c76af5fbbecdb5f2822"></a><!-- doxytag: member="sc::Int1eV3::third_centers" ref="e58efc7d369c1c76af5fbbecdb5f2822" args="" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1GaussianBasisSet.html">GaussianBasisSet</a> > </td><td class="memItemRight" valign="bottom"><b>third_centers</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7644c285af224a837e504fcbe12c43ed"></a><!-- doxytag: member="sc::Int1eV3::third_centernum" ref="7644c285af224a837e504fcbe12c43ed" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>third_centernum</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1ad469837485216712775b7678299d27"></a><!-- doxytag: member="sc::Int1eV3::init_order" ref="1ad469837485216712775b7678299d27" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>init_order</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="07204870e21928a266efb5dda4cf49cc"></a><!-- doxytag: member="sc::Int1eV3::buff" ref="07204870e21928a266efb5dda4cf49cc" args="" -->
double * </td><td class="memItemRight" valign="bottom"><b>buff</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="7fd0f349dc8efd729be528c59af13509"></a><!-- doxytag: member="sc::Int1eV3::cartesianbuffer" ref="7fd0f349dc8efd729be528c59af13509" args="" -->
double * </td><td class="memItemRight" valign="bottom"><b>cartesianbuffer</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="8c591d7e31b9b2b140e5be01ef7dba35"></a><!-- doxytag: member="sc::Int1eV3::cartesianbuffer_scratch" ref="8c591d7e31b9b2b140e5be01ef7dba35" args="" -->
double * </td><td class="memItemRight" valign="bottom"><b>cartesianbuffer_scratch</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="9b3822b6d3925a94c35a3d0bfc84a2f7"></a><!-- doxytag: member="sc::Int1eV3::mu" ref="9b3822b6d3925a94c35a3d0bfc84a2f7" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>mu</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="19dcecc1e06fa60fcb41584565234a2d"></a><!-- doxytag: member="sc::Int1eV3::inter" ref="19dcecc1e06fa60fcb41584565234a2d" args="" -->
IntV3Arraydoublep3 </td><td class="memItemRight" valign="bottom"><b>inter</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f8d0bf1e3ad4b2ce222e6fbea4ab62d8"></a><!-- doxytag: member="sc::Int1eV3::efield_inter" ref="f8d0bf1e3ad4b2ce222e6fbea4ab62d8" args="" -->
IntV3Arraydoublep3 </td><td class="memItemRight" valign="bottom"><b>efield_inter</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="85e689fc1fc8234c68c0ad066ae513ec"></a><!-- doxytag: member="sc::Int1eV3::source" ref="85e689fc1fc8234c68c0ad066ae513ec" args="" -->
double * </td><td class="memItemRight" valign="bottom"><b>source</b></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="121f51f06e9b9e4b0dbcd1f214f057e4"></a><!-- doxytag: member="sc::Int1eV3::nsourcemax" ref="121f51f06e9b9e4b0dbcd1f214f057e4" args="" -->
int </td><td class="memItemRight" valign="bottom"><b>nsourcemax</b></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="classsc_1_1Int1eV3.html" title="Int1eV3 is a class wrapper for the one body part of the C language IntV3 library...">Int1eV3</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="classsc_1_1OneBodyIntV3.html" title="This implements most one body integrals in the IntV3 library.">OneBodyIntV3</a> and <a class="el" href="classsc_1_1OneBodyDerivIntV3.html" title="This implements one body derivative integrals in the IntV3 library.">OneBodyDerivIntV3</a> to implement <a class="el" href="classsc_1_1IntegralV3.html" title="IntegralV3 computes integrals between Gaussian basis functions.">IntegralV3</a>. <hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="intv3_2int1e_8h_source.html">intv3/int1e.h</a></ul>
</div>
<hr>
<address>
<small>
Generated at Wed Oct 14 14:12:14 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>
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Mandriva
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2010.0
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i586
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media
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contrib-release
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by-pkgid
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247b28499c443e092731ffba814075f2
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