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<!DOCTYPE html PUBLIC "-//W3C//DTD XHTML 1.0 Transitional//EN" "http://www.w3.org/TR/xhtml1/DTD/xhtml1-transitional.dtd">
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<title>Massively Parallel Trotter-Suzuki Solver: Solver Class Reference</title>
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<div id="projectname">Massively Parallel Trotter-Suzuki Solver
 <span id="projectnumber">1.6.2</span>
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<li><a href="md_TSapproximation.html"><span>Mathematical Details</span></a></li>
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<a href="#pub-methods">Public Member Functions</a> |
<a href="#pub-attribs">Public Attributes</a> |
<a href="#pri-methods">Private Member Functions</a> |
<a href="#pri-attribs">Private Attributes</a> |
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<div class="title">Solver Class Reference</div> </div>
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<p>This class defines the evolution tasks.
<a href="classSolver.html#details">More...</a></p>
<p><code>#include <<a class="el" href="trottersuzuki_8h_source.html">trottersuzuki.h</a>></code></p>
<table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-methods"></a>
Public Member Functions</h2></td></tr>
<tr class="memitem:a475c3b57df612122e2a694c9eb83bb73"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a475c3b57df612122e2a694c9eb83bb73">Solver</a> (Lattice *<a class="el" href="classSolver.html#a78bfcb649d53580d1e8c541085a8fbf1">grid</a>, <a class="el" href="classState.html">State</a> *<a class="el" href="classSolver.html#a7dda1e092bba9f2e654445df5814a81c">state</a>, <a class="el" href="classHamiltonian.html">Hamiltonian</a> *<a class="el" href="classSolver.html#ad196816d8e3b0ec909a13535aee74d59">hamiltonian</a>, double <a class="el" href="classSolver.html#a5245c60018e4b5ff9854d21a233513d6">delta_t</a>, string <a class="el" href="classSolver.html#a42c174b2638615801ee0ccf69a8333f3">kernel_type</a>="cpu")</td></tr>
<tr class="separator:a475c3b57df612122e2a694c9eb83bb73"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a87801e81aefc38b4ed401e3b01a0c235"><td class="memItemLeft" align="right" valign="top"> </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a87801e81aefc38b4ed401e3b01a0c235">Solver</a> (Lattice *<a class="el" href="classSolver.html#a78bfcb649d53580d1e8c541085a8fbf1">grid</a>, <a class="el" href="classState.html">State</a> *state1, <a class="el" href="classState.html">State</a> *state2, <a class="el" href="classHamiltonian2Component.html">Hamiltonian2Component</a> *<a class="el" href="classSolver.html#ad196816d8e3b0ec909a13535aee74d59">hamiltonian</a>, double <a class="el" href="classSolver.html#a5245c60018e4b5ff9854d21a233513d6">delta_t</a>, string <a class="el" href="classSolver.html#a42c174b2638615801ee0ccf69a8333f3">kernel_type</a>="cpu")</td></tr>
<tr class="separator:a87801e81aefc38b4ed401e3b01a0c235"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:afef4d30f0fafcdd30e4bbd68ab4b8d18"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="afef4d30f0fafcdd30e4bbd68ab4b8d18"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#afef4d30f0fafcdd30e4bbd68ab4b8d18">evolve</a> (int iterations, bool <a class="el" href="classSolver.html#ac92298a066d9525df6eb6e504ba6f044">imag_time</a>=false)</td></tr>
<tr class="memdesc:afef4d30f0fafcdd30e4bbd68ab4b8d18"><td class="mdescLeft"> </td><td class="mdescRight">Evolve the state of the system. <br /></td></tr>
<tr class="separator:afef4d30f0fafcdd30e4bbd68ab4b8d18"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa77cf4e9db2d132dc16fafc41da4574a"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa77cf4e9db2d132dc16fafc41da4574a"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa77cf4e9db2d132dc16fafc41da4574a">update_parameters</a> ()</td></tr>
<tr class="memdesc:aa77cf4e9db2d132dc16fafc41da4574a"><td class="mdescLeft"> </td><td class="mdescRight">Notify the solver if any parameter changed in the <a class="el" href="classHamiltonian.html" title="This class defines the Hamiltonian of a single component system. ">Hamiltonian</a>. <br /></td></tr>
<tr class="separator:aa77cf4e9db2d132dc16fafc41da4574a"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aeb5ea40d4c6cba2312f05e839fb1cf8e"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aeb5ea40d4c6cba2312f05e839fb1cf8e"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aeb5ea40d4c6cba2312f05e839fb1cf8e">get_total_energy</a> (void)</td></tr>
<tr class="memdesc:aeb5ea40d4c6cba2312f05e839fb1cf8e"><td class="mdescLeft"> </td><td class="mdescRight">Get the total energy of the system. <br /></td></tr>
<tr class="separator:aeb5ea40d4c6cba2312f05e839fb1cf8e"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ac19c0fcf546647fd08c264010b02ee7b"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ac19c0fcf546647fd08c264010b02ee7b">get_squared_norm</a> (size_t which=3)</td></tr>
<tr class="memdesc:ac19c0fcf546647fd08c264010b02ee7b"><td class="mdescLeft"> </td><td class="mdescRight">Get the squared norm of the state (default: total wave-function). <a href="#ac19c0fcf546647fd08c264010b02ee7b">More...</a><br /></td></tr>
<tr class="separator:ac19c0fcf546647fd08c264010b02ee7b"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a9ab0c2e624be8dc9e15cd6ebf4c83566"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a9ab0c2e624be8dc9e15cd6ebf4c83566">get_kinetic_energy</a> (size_t which=3)</td></tr>
<tr class="memdesc:a9ab0c2e624be8dc9e15cd6ebf4c83566"><td class="mdescLeft"> </td><td class="mdescRight">Get the kinetic energy of the system. <a href="#a9ab0c2e624be8dc9e15cd6ebf4c83566">More...</a><br /></td></tr>
<tr class="separator:a9ab0c2e624be8dc9e15cd6ebf4c83566"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a239147bf2c1b701dd6a20b0923555a45"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a239147bf2c1b701dd6a20b0923555a45">get_potential_energy</a> (size_t which=3)</td></tr>
<tr class="memdesc:a239147bf2c1b701dd6a20b0923555a45"><td class="mdescLeft"> </td><td class="mdescRight">Get the potential energy of the system. <a href="#a239147bf2c1b701dd6a20b0923555a45">More...</a><br /></td></tr>
<tr class="separator:a239147bf2c1b701dd6a20b0923555a45"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa19331f93bfbcb5ea74be9a694bf3326"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa19331f93bfbcb5ea74be9a694bf3326">get_rotational_energy</a> (size_t which=3)</td></tr>
<tr class="memdesc:aa19331f93bfbcb5ea74be9a694bf3326"><td class="mdescLeft"> </td><td class="mdescRight">Get the rotational energy of the system. <a href="#aa19331f93bfbcb5ea74be9a694bf3326">More...</a><br /></td></tr>
<tr class="separator:aa19331f93bfbcb5ea74be9a694bf3326"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a6b6d5a32556689250db6c7ee2eddacdf"><td class="memItemLeft" align="right" valign="top">double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a6b6d5a32556689250db6c7ee2eddacdf">get_intra_species_energy</a> (size_t which=3)</td></tr>
<tr class="memdesc:a6b6d5a32556689250db6c7ee2eddacdf"><td class="mdescLeft"> </td><td class="mdescRight">Get the intra-particles interaction energy of the system. <a href="#a6b6d5a32556689250db6c7ee2eddacdf">More...</a><br /></td></tr>
<tr class="separator:a6b6d5a32556689250db6c7ee2eddacdf"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa25a1b770707d65de8563388d9bbf277"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa25a1b770707d65de8563388d9bbf277"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa25a1b770707d65de8563388d9bbf277">get_LeeHuangYang_energy</a> (void)</td></tr>
<tr class="memdesc:aa25a1b770707d65de8563388d9bbf277"><td class="mdescLeft"> </td><td class="mdescRight">Get the LeeHuangYang energy (only first component);. <br /></td></tr>
<tr class="separator:aa25a1b770707d65de8563388d9bbf277"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:acd920bc05bddaff2ebe80b25c3ee5f5b"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="acd920bc05bddaff2ebe80b25c3ee5f5b"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#acd920bc05bddaff2ebe80b25c3ee5f5b">get_inter_species_energy</a> (void)</td></tr>
<tr class="memdesc:acd920bc05bddaff2ebe80b25c3ee5f5b"><td class="mdescLeft"> </td><td class="mdescRight">Get the inter-particles interaction energy of the system. <br /></td></tr>
<tr class="separator:acd920bc05bddaff2ebe80b25c3ee5f5b"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a5be4020d6a7a57a9ef897bf5488aee28"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a5be4020d6a7a57a9ef897bf5488aee28"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a5be4020d6a7a57a9ef897bf5488aee28">get_rabi_energy</a> (void)</td></tr>
<tr class="memdesc:a5be4020d6a7a57a9ef897bf5488aee28"><td class="mdescLeft"> </td><td class="mdescRight">Get the Rabi energy of the system. <br /></td></tr>
<tr class="separator:a5be4020d6a7a57a9ef897bf5488aee28"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aeb3bc5009d553486e68f82a321582da3"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aeb3bc5009d553486e68f82a321582da3"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aeb3bc5009d553486e68f82a321582da3">set_exp_potential</a> (double *real, int real_length, double *imag, int imag_length, int which)</td></tr>
<tr class="memdesc:aeb3bc5009d553486e68f82a321582da3"><td class="mdescLeft"> </td><td class="mdescRight">Set exponential potential directly from Python. <br /></td></tr>
<tr class="separator:aeb3bc5009d553486e68f82a321582da3"><td class="memSeparator" colspan="2"> </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pub-attribs"></a>
Public Attributes</h2></td></tr>
<tr class="memitem:a78bfcb649d53580d1e8c541085a8fbf1"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a78bfcb649d53580d1e8c541085a8fbf1"></a>
Lattice * </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a78bfcb649d53580d1e8c541085a8fbf1">grid</a></td></tr>
<tr class="memdesc:a78bfcb649d53580d1e8c541085a8fbf1"><td class="mdescLeft"> </td><td class="mdescRight">Lattice object. <br /></td></tr>
<tr class="separator:a78bfcb649d53580d1e8c541085a8fbf1"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a7dda1e092bba9f2e654445df5814a81c"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a7dda1e092bba9f2e654445df5814a81c"></a>
<a class="el" href="classState.html">State</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a7dda1e092bba9f2e654445df5814a81c">state</a></td></tr>
<tr class="memdesc:a7dda1e092bba9f2e654445df5814a81c"><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classState.html" title="This class defines the quantum state. ">State</a> of the first component. <br /></td></tr>
<tr class="separator:a7dda1e092bba9f2e654445df5814a81c"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ae0ac5328119b67aedd7d234ed1bc546b"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ae0ac5328119b67aedd7d234ed1bc546b"></a>
<a class="el" href="classState.html">State</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ae0ac5328119b67aedd7d234ed1bc546b">state_b</a></td></tr>
<tr class="memdesc:ae0ac5328119b67aedd7d234ed1bc546b"><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classState.html" title="This class defines the quantum state. ">State</a> of the second component. <br /></td></tr>
<tr class="separator:ae0ac5328119b67aedd7d234ed1bc546b"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ad196816d8e3b0ec909a13535aee74d59"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ad196816d8e3b0ec909a13535aee74d59"></a>
<a class="el" href="classHamiltonian.html">Hamiltonian</a> * </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ad196816d8e3b0ec909a13535aee74d59">hamiltonian</a></td></tr>
<tr class="memdesc:ad196816d8e3b0ec909a13535aee74d59"><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classHamiltonian.html" title="This class defines the Hamiltonian of a single component system. ">Hamiltonian</a> of the system; either single component or two components. <br /></td></tr>
<tr class="separator:ad196816d8e3b0ec909a13535aee74d59"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a3c2aa1b16c4af232cd0bb71d8c6bd239"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a3c2aa1b16c4af232cd0bb71d8c6bd239"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a3c2aa1b16c4af232cd0bb71d8c6bd239">current_evolution_time</a></td></tr>
<tr class="memdesc:a3c2aa1b16c4af232cd0bb71d8c6bd239"><td class="mdescLeft"> </td><td class="mdescRight">Amount of time evolved since the beginning of the evolution. <br /></td></tr>
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</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pri-methods"></a>
Private Member Functions</h2></td></tr>
<tr class="memitem:afce854ac47699d84f726fbb19213c0a0"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="afce854ac47699d84f726fbb19213c0a0"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#afce854ac47699d84f726fbb19213c0a0">initialize_exp_potential</a> (double time_single_it, int which)</td></tr>
<tr class="memdesc:afce854ac47699d84f726fbb19213c0a0"><td class="mdescLeft"> </td><td class="mdescRight">Initialize the evolution operator regarding the external potential. <br /></td></tr>
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<tr class="memitem:a14b309e105daedb226a2741eca5faf40"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a14b309e105daedb226a2741eca5faf40"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a14b309e105daedb226a2741eca5faf40">init_kernel</a> ()</td></tr>
<tr class="memdesc:a14b309e105daedb226a2741eca5faf40"><td class="mdescLeft"> </td><td class="mdescRight">Initialize the kernel (cpu or gpu). <br /></td></tr>
<tr class="separator:a14b309e105daedb226a2741eca5faf40"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa84afb3dd2bcf5f398376ccbbe88a1c5"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa84afb3dd2bcf5f398376ccbbe88a1c5"></a>
void </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa84afb3dd2bcf5f398376ccbbe88a1c5">calculate_energy_expected_values</a> (void)</td></tr>
<tr class="memdesc:aa84afb3dd2bcf5f398376ccbbe88a1c5"><td class="mdescLeft"> </td><td class="mdescRight">Calculate all the expectation values and the state's norm. <br /></td></tr>
<tr class="separator:aa84afb3dd2bcf5f398376ccbbe88a1c5"><td class="memSeparator" colspan="2"> </td></tr>
</table><table class="memberdecls">
<tr class="heading"><td colspan="2"><h2 class="groupheader"><a name="pri-attribs"></a>
Private Attributes</h2></td></tr>
<tr class="memitem:ac92298a066d9525df6eb6e504ba6f044"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ac92298a066d9525df6eb6e504ba6f044"></a>
bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ac92298a066d9525df6eb6e504ba6f044">imag_time</a></td></tr>
<tr class="memdesc:ac92298a066d9525df6eb6e504ba6f044"><td class="mdescLeft"> </td><td class="mdescRight">Whether the time of evolution is imaginary(true) or real(false). <br /></td></tr>
<tr class="separator:ac92298a066d9525df6eb6e504ba6f044"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa5b25076c13592bb2db571792c711285"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa5b25076c13592bb2db571792c711285"></a>
double ** </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa5b25076c13592bb2db571792c711285">external_pot_real</a></td></tr>
<tr class="memdesc:aa5b25076c13592bb2db571792c711285"><td class="mdescLeft"> </td><td class="mdescRight">Real part of the evolution operator regarding the external potential. <br /></td></tr>
<tr class="separator:aa5b25076c13592bb2db571792c711285"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a27fe2eff3bb6c18d15d089d9097303fd"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a27fe2eff3bb6c18d15d089d9097303fd"></a>
double ** </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a27fe2eff3bb6c18d15d089d9097303fd">external_pot_imag</a></td></tr>
<tr class="memdesc:a27fe2eff3bb6c18d15d089d9097303fd"><td class="mdescLeft"> </td><td class="mdescRight">Imaginary part of the evolution operator regarding the external potential. <br /></td></tr>
<tr class="separator:a27fe2eff3bb6c18d15d089d9097303fd"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a5245c60018e4b5ff9854d21a233513d6"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a5245c60018e4b5ff9854d21a233513d6"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a5245c60018e4b5ff9854d21a233513d6">delta_t</a></td></tr>
<tr class="memdesc:a5245c60018e4b5ff9854d21a233513d6"><td class="mdescLeft"> </td><td class="mdescRight">A single evolution iteration, evolves the state for this time. <br /></td></tr>
<tr class="separator:a5245c60018e4b5ff9854d21a233513d6"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ac1117f609b88a8f666b12960718251d8"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ac1117f609b88a8f666b12960718251d8"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ac1117f609b88a8f666b12960718251d8">norm2</a> [2]</td></tr>
<tr class="memdesc:ac1117f609b88a8f666b12960718251d8"><td class="mdescLeft"> </td><td class="mdescRight">Squared norms of the two wave function. <br /></td></tr>
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<tr class="memitem:a32bed12b4bdc053c8fae29ca2a6b0855"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a32bed12b4bdc053c8fae29ca2a6b0855"></a>
bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a32bed12b4bdc053c8fae29ca2a6b0855">single_component</a></td></tr>
<tr class="memdesc:a32bed12b4bdc053c8fae29ca2a6b0855"><td class="mdescLeft"> </td><td class="mdescRight">Whether the system is single-component(true) or two-components(false). <br /></td></tr>
<tr class="separator:a32bed12b4bdc053c8fae29ca2a6b0855"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a42c174b2638615801ee0ccf69a8333f3"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a42c174b2638615801ee0ccf69a8333f3"></a>
string </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a42c174b2638615801ee0ccf69a8333f3">kernel_type</a></td></tr>
<tr class="memdesc:a42c174b2638615801ee0ccf69a8333f3"><td class="mdescLeft"> </td><td class="mdescRight">Which kernel are being used (cpu or gpu). <br /></td></tr>
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<tr class="memitem:a009f346c3b3ed2ed69726b426cb2e0ef"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a009f346c3b3ed2ed69726b426cb2e0ef"></a>
ITrotterKernel * </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a009f346c3b3ed2ed69726b426cb2e0ef">kernel</a></td></tr>
<tr class="memdesc:a009f346c3b3ed2ed69726b426cb2e0ef"><td class="mdescLeft"> </td><td class="mdescRight">Pointer to the kernel object. <br /></td></tr>
<tr class="separator:a009f346c3b3ed2ed69726b426cb2e0ef"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a2b0487b16edfffca5f3e779c6c869cae"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a2b0487b16edfffca5f3e779c6c869cae"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a2b0487b16edfffca5f3e779c6c869cae">total_energy</a></td></tr>
<tr class="memdesc:a2b0487b16edfffca5f3e779c6c869cae"><td class="mdescLeft"> </td><td class="mdescRight">Total energy of the system. <br /></td></tr>
<tr class="separator:a2b0487b16edfffca5f3e779c6c869cae"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ac2796f95cd98f72792a47a2b7f8c98a8"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ac2796f95cd98f72792a47a2b7f8c98a8"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ac2796f95cd98f72792a47a2b7f8c98a8">kinetic_energy</a> [2]</td></tr>
<tr class="memdesc:ac2796f95cd98f72792a47a2b7f8c98a8"><td class="mdescLeft"> </td><td class="mdescRight">Kinetic energy for the single components. <br /></td></tr>
<tr class="separator:ac2796f95cd98f72792a47a2b7f8c98a8"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a6224555d0166f0bf410fd20f7c61b5ae"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a6224555d0166f0bf410fd20f7c61b5ae"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a6224555d0166f0bf410fd20f7c61b5ae">tot_kinetic_energy</a></td></tr>
<tr class="memdesc:a6224555d0166f0bf410fd20f7c61b5ae"><td class="mdescLeft"> </td><td class="mdescRight">Total kinetic energy of the system. <br /></td></tr>
<tr class="separator:a6224555d0166f0bf410fd20f7c61b5ae"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a271851889fcfdcac738131b5724556df"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a271851889fcfdcac738131b5724556df"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a271851889fcfdcac738131b5724556df">potential_energy</a> [2]</td></tr>
<tr class="memdesc:a271851889fcfdcac738131b5724556df"><td class="mdescLeft"> </td><td class="mdescRight"><a class="el" href="classPotential.html" title="This class defines the external potential that is used for Hamiltonian class. ">Potential</a> energy for the single components. <br /></td></tr>
<tr class="separator:a271851889fcfdcac738131b5724556df"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a287208a6319d1d64dca3d2b70e954e52"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a287208a6319d1d64dca3d2b70e954e52"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a287208a6319d1d64dca3d2b70e954e52">tot_potential_energy</a></td></tr>
<tr class="memdesc:a287208a6319d1d64dca3d2b70e954e52"><td class="mdescLeft"> </td><td class="mdescRight">Total potential energy of the system. <br /></td></tr>
<tr class="separator:a287208a6319d1d64dca3d2b70e954e52"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a7b02299b5a2a9aaa856ccf3e25ce718c"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a7b02299b5a2a9aaa856ccf3e25ce718c"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a7b02299b5a2a9aaa856ccf3e25ce718c">rotational_energy</a> [2]</td></tr>
<tr class="memdesc:a7b02299b5a2a9aaa856ccf3e25ce718c"><td class="mdescLeft"> </td><td class="mdescRight">Rotational energy for the single components. <br /></td></tr>
<tr class="separator:a7b02299b5a2a9aaa856ccf3e25ce718c"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa2d4923d98185727e1dad8f27ccfce86"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa2d4923d98185727e1dad8f27ccfce86"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa2d4923d98185727e1dad8f27ccfce86">tot_rotational_energy</a></td></tr>
<tr class="memdesc:aa2d4923d98185727e1dad8f27ccfce86"><td class="mdescLeft"> </td><td class="mdescRight">Total Rotational energy of the system. <br /></td></tr>
<tr class="separator:aa2d4923d98185727e1dad8f27ccfce86"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a82b4191c01585f781864fe5eed15ef19"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a82b4191c01585f781864fe5eed15ef19"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a82b4191c01585f781864fe5eed15ef19">intra_species_energy</a> [2]</td></tr>
<tr class="memdesc:a82b4191c01585f781864fe5eed15ef19"><td class="mdescLeft"> </td><td class="mdescRight">Intra-particles interaction energy for the single components. <br /></td></tr>
<tr class="separator:a82b4191c01585f781864fe5eed15ef19"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a5280b40ef6d0fafc90c6a5371a5030ec"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a5280b40ef6d0fafc90c6a5371a5030ec"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a5280b40ef6d0fafc90c6a5371a5030ec">tot_intra_species_energy</a></td></tr>
<tr class="memdesc:a5280b40ef6d0fafc90c6a5371a5030ec"><td class="mdescLeft"> </td><td class="mdescRight">Total intra-particles interaction energy of the system. <br /></td></tr>
<tr class="separator:a5280b40ef6d0fafc90c6a5371a5030ec"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa2474b6c6f5a550e34c59898c4a183c7"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa2474b6c6f5a550e34c59898c4a183c7"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa2474b6c6f5a550e34c59898c4a183c7">LeeHuangYang_energy</a></td></tr>
<tr class="memdesc:aa2474b6c6f5a550e34c59898c4a183c7"><td class="mdescLeft"> </td><td class="mdescRight">LeeHuangYang energy term. <br /></td></tr>
<tr class="separator:aa2474b6c6f5a550e34c59898c4a183c7"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a62c3613eaa7e36e7177f4b120ecb5619"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a62c3613eaa7e36e7177f4b120ecb5619"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a62c3613eaa7e36e7177f4b120ecb5619">inter_species_energy</a></td></tr>
<tr class="memdesc:a62c3613eaa7e36e7177f4b120ecb5619"><td class="mdescLeft"> </td><td class="mdescRight">Inter-particles interaction energy of the system. <br /></td></tr>
<tr class="separator:a62c3613eaa7e36e7177f4b120ecb5619"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:a707c56538ea67b82cb9229b216d88a6f"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="a707c56538ea67b82cb9229b216d88a6f"></a>
double </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#a707c56538ea67b82cb9229b216d88a6f">rabi_energy</a></td></tr>
<tr class="memdesc:a707c56538ea67b82cb9229b216d88a6f"><td class="mdescLeft"> </td><td class="mdescRight">Rabi energy of the system. <br /></td></tr>
<tr class="separator:a707c56538ea67b82cb9229b216d88a6f"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:aa6ed7ad3e5973aba8d2d69b9a527986a"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="aa6ed7ad3e5973aba8d2d69b9a527986a"></a>
bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#aa6ed7ad3e5973aba8d2d69b9a527986a">has_parameters_changed</a></td></tr>
<tr class="memdesc:aa6ed7ad3e5973aba8d2d69b9a527986a"><td class="mdescLeft"> </td><td class="mdescRight">Keeps track whether the <a class="el" href="classHamiltonian.html" title="This class defines the Hamiltonian of a single component system. ">Hamiltonian</a> parameters were changed. <br /></td></tr>
<tr class="separator:aa6ed7ad3e5973aba8d2d69b9a527986a"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ab1991188dc0fadaa8bce87fe774e925c"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ab1991188dc0fadaa8bce87fe774e925c"></a>
bool </td><td class="memItemRight" valign="bottom"><a class="el" href="classSolver.html#ab1991188dc0fadaa8bce87fe774e925c">energy_expected_values_updated</a></td></tr>
<tr class="memdesc:ab1991188dc0fadaa8bce87fe774e925c"><td class="mdescLeft"> </td><td class="mdescRight">Whether the expectation values are updated or not. <br /></td></tr>
<tr class="separator:ab1991188dc0fadaa8bce87fe774e925c"><td class="memSeparator" colspan="2"> </td></tr>
<tr class="memitem:ae43302028c8db1fba083fb626f6667f3"><td class="memItemLeft" align="right" valign="top"><a class="anchor" id="ae43302028c8db1fba083fb626f6667f3"></a>
bool </td><td class="memItemRight" valign="bottom"><b>is_python</b></td></tr>
<tr class="separator:ae43302028c8db1fba083fb626f6667f3"><td class="memSeparator" colspan="2"> </td></tr>
</table>
<a name="details" id="details"></a><h2 class="groupheader">Detailed Description</h2>
<div class="textblock"><p>This class defines the evolution tasks. </p>
</div><h2 class="groupheader">Constructor & Destructor Documentation</h2>
<a class="anchor" id="a475c3b57df612122e2a694c9eb83bb73"></a>
<div class="memitem">
<div class="memproto">
<table class="memname">
<tr>
<td class="memname">Solver::Solver </td>
<td>(</td>
<td class="paramtype">Lattice * </td>
<td class="paramname"><em>_grid</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classState.html">State</a> * </td>
<td class="paramname"><em>_state</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype"><a class="el" href="classHamiltonian.html">Hamiltonian</a> * </td>
<td class="paramname"><em>_hamiltonian</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">double </td>
<td class="paramname"><em>_delta_t</em>, </td>
</tr>
<tr>
<td class="paramkey"></td>
<td></td>
<td class="paramtype">string </td>
<td class="paramname"><em>_kernel_type</em> = <code>"cpu"</code> </td>
</tr>
<tr>
<td></td>
<td>)</td>
<td></td><td></td>
</tr>
</table>
</div><div class="memdoc">
<p>Construct the <a class="el" href="classSolver.html" title="This class defines the evolution tasks. ">Solver</a> object for a single-component system.</p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">grid</td><td>Lattice object. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">state</td><td><a class="el" href="classState.html" title="This class defines the quantum state. ">State</a> of the system. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">hamiltonian</td><td><a class="el" href="classHamiltonian.html" title="This class defines the Hamiltonian of a single component system. ">Hamiltonian</a> of the system. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">delta_t</td><td>A single evolution iteration, evolves the state for this time. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">kernel_type</td><td>Which kernel to use (either cpu or gpu).</td></tr>
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<p>Massively Parallel Trotter-Suzuki <a class="el" href="classSolver.html" title="This class defines the evolution tasks. ">Solver</a></p>
<p>This program is free software: you can redistribute it and/or modify it under the terms of the GNU General Public License as published by the Free Software Foundation, either version 3 of the License, or (at your option) any later version.</p>
<p>This program is distributed in the hope that it will be useful, but WITHOUT ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License for more details.</p>
<p>You should have received a copy of the GNU General Public License along with this program. If not, see <a href="http://www.gnu.org/licenses/">http://www.gnu.org/licenses/</a>. </p>
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<td class="memname">Solver::Solver </td>
<td>(</td>
<td class="paramtype">Lattice * </td>
<td class="paramname"><em>grid</em>, </td>
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<td class="paramkey"></td>
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<td class="paramtype"><a class="el" href="classState.html">State</a> * </td>
<td class="paramname"><em>state1</em>, </td>
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<td class="paramkey"></td>
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<td class="paramtype"><a class="el" href="classState.html">State</a> * </td>
<td class="paramname"><em>state2</em>, </td>
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<td class="paramtype"><a class="el" href="classHamiltonian2Component.html">Hamiltonian2Component</a> * </td>
<td class="paramname"><em>hamiltonian</em>, </td>
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<td class="paramtype">double </td>
<td class="paramname"><em>delta_t</em>, </td>
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<td class="paramtype">string </td>
<td class="paramname"><em>kernel_type</em> = <code>"cpu"</code> </td>
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<td>)</td>
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<p>Construct the <a class="el" href="classSolver.html" title="This class defines the evolution tasks. ">Solver</a> object for a two-component system.</p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">grid</td><td>Lattice object. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">state1</td><td>First component's state of the system. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">state2</td><td>Second component's state of the system. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">hamiltonian</td><td><a class="el" href="classHamiltonian.html" title="This class defines the Hamiltonian of a single component system. ">Hamiltonian</a> of the two-component system. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">delta_t</td><td>A single evolution iteration, evolves the state for this time. </td></tr>
<tr><td class="paramdir">[in]</td><td class="paramname">kernel_type</td><td>Which kernel to use (either cpu or gpu). </td></tr>
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<h2 class="groupheader">Member Function Documentation</h2>
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<td class="memname">double Solver::get_intra_species_energy </td>
<td>(</td>
<td class="paramtype">size_t </td>
<td class="paramname"><em>which</em> = <code>3</code></td><td>)</td>
<td></td>
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<p>Get the intra-particles interaction energy of the system. </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">which</td><td>Which = 1(first component); 2 (second component); 3(total state) </td></tr>
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<td class="memname">double Solver::get_kinetic_energy </td>
<td>(</td>
<td class="paramtype">size_t </td>
<td class="paramname"><em>which</em> = <code>3</code></td><td>)</td>
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<p>Get the kinetic energy of the system. </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">which</td><td>Which = 1(first component); 2 (second component); 3(total state) </td></tr>
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</dd>
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<td class="memname">double Solver::get_potential_energy </td>
<td>(</td>
<td class="paramtype">size_t </td>
<td class="paramname"><em>which</em> = <code>3</code></td><td>)</td>
<td></td>
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<p>Get the potential energy of the system. </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">which</td><td>Which = 1(first component); 2 (second component); 3(total state) </td></tr>
</table>
</dd>
</dl>
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<td class="memname">double Solver::get_rotational_energy </td>
<td>(</td>
<td class="paramtype">size_t </td>
<td class="paramname"><em>which</em> = <code>3</code></td><td>)</td>
<td></td>
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<p>Get the rotational energy of the system. </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">which</td><td>Which = 1(first component); 2 (second component); 3(total state) </td></tr>
</table>
</dd>
</dl>
</div>
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<td class="memname">double Solver::get_squared_norm </td>
<td>(</td>
<td class="paramtype">size_t </td>
<td class="paramname"><em>which</em> = <code>3</code></td><td>)</td>
<td></td>
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<p>Get the squared norm of the state (default: total wave-function). </p>
<dl class="params"><dt>Parameters</dt><dd>
<table class="params">
<tr><td class="paramdir">[in]</td><td class="paramname">which</td><td>Which = 1(first component); 2 (second component); 3(total state) </td></tr>
</table>
</dd>
</dl>
</div>
</div>
<hr/>The documentation for this class was generated from the following files:<ul>
<li>/home/pwittek/trotter-suzuki-mpi/src/<a class="el" href="trottersuzuki_8h_source.html">trottersuzuki.h</a></li>
<li>/home/pwittek/trotter-suzuki-mpi/src/solver.cpp</li>
</ul>
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