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<div class="navpath"><b>sc</b>::<a class="el" href="classsc_1_1MOIntsTransformFactory.html">MOIntsTransformFactory</a>
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<h1>sc::MOIntsTransformFactory Class Reference</h1><!-- doxytag: class="sc::MOIntsTransformFactory" --><!-- doxytag: inherits="sc::SavableState" --><a class="el" href="classsc_1_1MOIntsTransformFactory.html" title="MOIntsTransformFactory is a factory that produces MOIntsTransform objects.">MOIntsTransformFactory</a> is a factory that produces MOIntsTransform objects.
<a href="#_details">More...</a>
<p>
<code>#include <<a class="el" href="transform__factory_8h_source.html">transform_factory.h</a>></code>
<p>
<div class="dynheader">
Inheritance diagram for sc::MOIntsTransformFactory:</div>
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<p><center><img src="classsc_1_1MOIntsTransformFactory.png" usemap="#sc::MOIntsTransformFactory_map" border="0" alt=""></center>
<map name="sc::MOIntsTransformFactory_map">
<area href="classsc_1_1SavableState.html" alt="sc::SavableState" shape="rect" coords="0,168,172,192">
<area href="classsc_1_1DescribedClass.html" alt="sc::DescribedClass" shape="rect" coords="0,112,172,136">
<area href="classsc_1_1RefCount.html" alt="sc::RefCount" shape="rect" coords="0,56,172,80">
<area href="classsc_1_1Identity.html" alt="sc::Identity" shape="rect" coords="0,0,172,24">
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<p>
<a href="classsc_1_1MOIntsTransformFactory-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 Types</h2></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">enum </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#79bd8efff290f0ad710cad089c944311">StoreMethod</a> { <br>
<b>mem_posix</b> = 0,
<b>posix</b> = 1,
<b>mem_mpi</b> = 2,
<b>mpi</b> = 3,
<br>
<b>mem_only</b> = 4
<br>
}</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Describes the method of storing transformed MO integrals. <br></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="7038c483f6f63140254ae456b118d2ac"></a><!-- doxytag: member="sc::MOIntsTransformFactory::MOIntsTransformFactory" ref="7038c483f6f63140254ae456b118d2ac" args="(StateIn &)" -->
</td><td class="memItemRight" valign="bottom"><b>MOIntsTransformFactory</b> (<a class="el" href="classsc_1_1StateIn.html">StateIn</a> &)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a12ff8c84c20ec76bf56ed25245b36ea"></a><!-- doxytag: member="sc::MOIntsTransformFactory::MOIntsTransformFactory" ref="a12ff8c84c20ec76bf56ed25245b36ea" args="(const Ref< Integral > &integral, const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2=0, const Ref< MOIndexSpace > &space3=0, const Ref< MOIndexSpace > &space4=0)" -->
</td><td class="memItemRight" valign="bottom"><b>MOIntsTransformFactory</b> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Integral.html">Integral</a> > &integral, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space1, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space2=0, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space3=0, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space4=0)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top">void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#618aefacbef9cee77c839bb65945bedf">save_data_state</a> (<a class="el" href="classsc_1_1StateOut.html">StateOut</a> &)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them. <a href="#618aefacbef9cee77c839bb65945bedf"></a><br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6312f471d038ad235cb9ea5a7448b95e"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_spaces" ref="6312f471d038ad235cb9ea5a7448b95e" args="(const Ref< MOIndexSpace > &space1, const Ref< MOIndexSpace > &space2=0, const Ref< MOIndexSpace > &space3=0, const Ref< MOIndexSpace > &space4=0)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#6312f471d038ad235cb9ea5a7448b95e">set_spaces</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space1, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space2=0, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space3=0, const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > &space4=0)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Sets the orbital spaces. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="a4e17948721aaf1e6c95317b914fbd48"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_top_mole" ref="a4e17948721aaf1e6c95317b914fbd48" args="(const Ref< MolecularEnergy > &top_mole)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#a4e17948721aaf1e6c95317b914fbd48">set_top_mole</a> (const <a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MolecularEnergy.html">MolecularEnergy</a> > &top_mole)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Specifies the top-level <a class="el" href="classsc_1_1MolecularEnergy.html" title="The MolecularEnergy abstract class inherits from the Function class.">MolecularEnergy</a> object to use for checkpointing. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="6cb0fcc5e90bafb28705c43d4047b22a"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_ints_method" ref="6cb0fcc5e90bafb28705c43d4047b22a" args="(const StoreMethod method)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#6cb0fcc5e90bafb28705c43d4047b22a">set_ints_method</a> (const <a class="el" href="classsc_1_1MOIntsTransformFactory.html#79bd8efff290f0ad710cad089c944311">StoreMethod</a> method)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Sets the method of storing transformed MO integrals. Default method is mem_posix. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="188ed3435813bf7b69fb0038711b373a"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_file_prefix" ref="188ed3435813bf7b69fb0038711b373a" args="(const std::string &prefix)" -->
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#188ed3435813bf7b69fb0038711b373a">set_file_prefix</a> (const std::string &prefix)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Sets the name of the file to hold the integrals. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="bda5f70d3c1f2b6cf2411ce9a166e74a"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_debug" ref="bda5f70d3c1f2b6cf2411ce9a166e74a" args="(int debug)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_debug</b> (int debug)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="3e77b6df47cad727a9ebb52e47c25dfb"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_dynamic" ref="3e77b6df47cad727a9ebb52e47c25dfb" args="(bool dynamic)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_dynamic</b> (bool dynamic)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="f02cd36cb4431e86468b41464f841214"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_print_percent" ref="f02cd36cb4431e86468b41464f841214" args="(double print_percent)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_print_percent</b> (double print_percent)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="580ecfa6f51168978e68f838d57c9154"></a><!-- doxytag: member="sc::MOIntsTransformFactory::set_memory" ref="580ecfa6f51168978e68f838d57c9154" args="(size_t nbytes)" -->
void </td><td class="memItemRight" valign="bottom"><b>set_memory</b> (size_t nbytes)</td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="39968b7153d21484f9ce93127f193c0d"></a><!-- doxytag: member="sc::MOIntsTransformFactory::integral" ref="39968b7153d21484f9ce93127f193c0d" args="() const " -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1Integral.html">Integral</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#39968b7153d21484f9ce93127f193c0d">integral</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the <a class="el" href="classsc_1_1Integral.html" title="The Integral abstract class acts as a factory to provide objects that compute one...">Integral</a> factory. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="1109ff99954d9f44e0547dcbd3907db8"></a><!-- doxytag: member="sc::MOIntsTransformFactory::ints_method" ref="1109ff99954d9f44e0547dcbd3907db8" args="() const " -->
const <a class="el" href="classsc_1_1MOIntsTransformFactory.html#79bd8efff290f0ad710cad089c944311">StoreMethod</a> </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#1109ff99954d9f44e0547dcbd3907db8">ints_method</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns the method of storing transformed MO integrals. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4c297fac062469319e6171c55c5b2c54"></a><!-- doxytag: member="sc::MOIntsTransformFactory::file_prefix" ref="4c297fac062469319e6171c55c5b2c54" args="() const " -->
const std::string </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#4c297fac062469319e6171c55c5b2c54">file_prefix</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Sets the name of the file to hold the integrals. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="06f4c3f52b2fe0b3ffa0151dc3f8c880"></a><!-- doxytag: member="sc::MOIntsTransformFactory::debug" ref="06f4c3f52b2fe0b3ffa0151dc3f8c880" args="() const " -->
const int </td><td class="memItemRight" valign="bottom"><b>debug</b> () const </td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="78c62c33fe9f5ac2550fac951976cb69"></a><!-- doxytag: member="sc::MOIntsTransformFactory::dynamic" ref="78c62c33fe9f5ac2550fac951976cb69" args="() const " -->
const bool </td><td class="memItemRight" valign="bottom"><b>dynamic</b> () const </td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="4a752fe332893aa7a36c93637aa0a3ea"></a><!-- doxytag: member="sc::MOIntsTransformFactory::print_percent" ref="4a752fe332893aa7a36c93637aa0a3ea" args="() const " -->
const double </td><td class="memItemRight" valign="bottom"><b>print_percent</b> () const </td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="46ed42aa30f2e79810666acdf5b107b1"></a><!-- doxytag: member="sc::MOIntsTransformFactory::memory" ref="46ed42aa30f2e79810666acdf5b107b1" args="() const " -->
const size_t </td><td class="memItemRight" valign="bottom"><b>memory</b> () const </td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="c9c5ded0b3be9d7fba9984afb57d7066"></a><!-- doxytag: member="sc::MOIntsTransformFactory::space1" ref="c9c5ded0b3be9d7fba9984afb57d7066" args="() const " -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#c9c5ded0b3be9d7fba9984afb57d7066">space1</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns <a class="el" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> object 1. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="0146b0cd91b40414d3ef6ad20879a7f5"></a><!-- doxytag: member="sc::MOIntsTransformFactory::space2" ref="0146b0cd91b40414d3ef6ad20879a7f5" args="() const " -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#0146b0cd91b40414d3ef6ad20879a7f5">space2</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns <a class="el" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> object 2. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="ccc245f61685c4142708e82454b247f0"></a><!-- doxytag: member="sc::MOIntsTransformFactory::space3" ref="ccc245f61685c4142708e82454b247f0" args="() const " -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#ccc245f61685c4142708e82454b247f0">space3</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns <a class="el" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> object 3. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="2467fedb8a42ba07442990bb405d1857"></a><!-- doxytag: member="sc::MOIntsTransformFactory::space4" ref="2467fedb8a42ba07442990bb405d1857" args="() const " -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1MOIndexSpace.html">MOIndexSpace</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#2467fedb8a42ba07442990bb405d1857">space4</a> () const </td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Returns <a class="el" href="classsc_1_1MOIndexSpace.html" title="Class MOIndexSpace describes a range of molecular orbitals or similar objects that...">MOIndexSpace</a> object 4. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="83837d7bed78437dd2be934c5fd7f88e"></a><!-- doxytag: member="sc::MOIntsTransformFactory::twobody_transform_13" ref="83837d7bed78437dd2be934c5fd7f88e" args="(const std::string &id)" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html">TwoBodyMOIntsTransform</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#83837d7bed78437dd2be934c5fd7f88e">twobody_transform_13</a> (const std::string &id)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Creates an <a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html" title="TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct...">TwoBodyMOIntsTransform</a> object that will compute (pq|rs) integrals stored in qs blocks for each pr. <br></td></tr>
<tr><td class="memItemLeft" nowrap align="right" valign="top"><a class="anchor" name="b925d4328a12523fff3012d69642a88b"></a><!-- doxytag: member="sc::MOIntsTransformFactory::twobody_transform_12" ref="b925d4328a12523fff3012d69642a88b" args="(const std::string &id)" -->
<a class="el" href="classsc_1_1Ref.html">Ref</a>< <a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html">TwoBodyMOIntsTransform</a> > </td><td class="memItemRight" valign="bottom"><a class="el" href="classsc_1_1MOIntsTransformFactory.html#b925d4328a12523fff3012d69642a88b">twobody_transform_12</a> (const std::string &id)</td></tr>
<tr><td class="mdescLeft"> </td><td class="mdescRight">Creates an <a class="el" href="classsc_1_1TwoBodyMOIntsTransform.html" title="TwoBodyMOIntsTransform computes two-body integrals in MO basis using parallel integrals-direct...">TwoBodyMOIntsTransform</a> object that will compute (pq|rs) integrals stored in rs blocks for each pq. <br></td></tr>
</table>
<hr><a name="_details"></a><h2>Detailed Description</h2>
<a class="el" href="classsc_1_1MOIntsTransformFactory.html" title="MOIntsTransformFactory is a factory that produces MOIntsTransform objects.">MOIntsTransformFactory</a> is a factory that produces MOIntsTransform objects.
<p>
<hr><h2>Member Function Documentation</h2>
<a class="anchor" name="618aefacbef9cee77c839bb65945bedf"></a><!-- doxytag: member="sc::MOIntsTransformFactory::save_data_state" ref="618aefacbef9cee77c839bb65945bedf" args="(StateOut &)" -->
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname">void sc::MOIntsTransformFactory::save_data_state </td>
<td>(</td>
<td class="paramtype"><a class="el" href="classsc_1_1StateOut.html">StateOut</a> & </td>
<td class="paramname"> </td>
<td> ) </td>
<td><code> [virtual]</code></td>
</tr>
</table>
</div>
<div class="memdoc">
<p>
Save the base classes (with save_data_state) and the members in the same order that the <a class="el" href="classsc_1_1StateIn.html" title="Restores objects that derive from SavableState.">StateIn</a> CTOR initializes them.
<p>
This must be implemented by the derived class if the class has data.
<p>Reimplemented from <a class="el" href="classsc_1_1SavableState.html#f9e0c212322d3c0f43e2dcb33e111acf">sc::SavableState</a>.</p>
</div>
</div><p>
<hr>The documentation for this class was generated from the following file:<ul>
<li><a class="el" href="transform__factory_8h_source.html">transform_factory.h</a></ul>
</div>
<hr>
<address>
<small>
Generated at Wed Oct 14 14:12:15 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.
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