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<?xml version="1.0" encoding="UTF-8"?>
<simulation xmds-version="2">
<testing>
<xsil_file name="groundstate.xsil" expected="groundstate_expected.xsil" absolute_tolerance="1e-7" relative_tolerance="1e-5" />
<xsil_file name="groundstate_break.xsil" expected="groundstate_expected_break.xsil" absolute_tolerance="1e-7" relative_tolerance="1e-5" />
</testing>
<name>groundstate</name>
<author>Graham Dennis</author>
<description>
Calculate the ground state of a negative gaussian potential.
</description>
<features>
<auto_vectorise />
<benchmark />
<bing />
<fftw plan="patient" />
</features>
<geometry>
<propagation_dimension> t </propagation_dimension>
<transverse_dimensions>
<dimension name="y" lattice="1024" domain="(-12.0, 12.0)" />
</transverse_dimensions>
</geometry>
<vector name="potential" initial_basis="y" type="complex">
<components>
V1
</components>
<initialisation>
<![CDATA[
double Vtrap = -exp(-y*y);
V1 = -i*Vtrap;
]]>
</initialisation>
</vector>
<vector name="wavefunction" initial_basis="y" type="complex">
<components>
phi
</components>
<initialisation>
<![CDATA[
// This will be automatically normalised later
phi = exp(-y*y);
]]>
</initialisation>
</vector>
<computed_vector name="normalisation" dimensions="" type="double">
<components> Ncalc </components>
<evaluation>
<dependencies fourier_space="y">wavefunction</dependencies>
<![CDATA[
// Calculate the current normalisation of the wave function.
Ncalc = mod2(phi);
]]>
</evaluation>
</computed_vector>
<sequence>
<integrate algorithm="RK4" interval="1.0" steps="1000">
<samples>50 50 50</samples>
<filters>
<filter>
<dependencies>wavefunction normalisation</dependencies>
<![CDATA[
// Correct normalisation of the wavefunction
phi *= sqrt(1.0/Ncalc);
]]>
</filter>
</filters>
<operators>
<operator kind="ip" constant="yes">
<operator_names>T</operator_names>
<![CDATA[
T = -0.5*ky*ky;
]]>
</operator>
<integration_vectors>wavefunction</integration_vectors>
<dependencies>potential</dependencies>
<![CDATA[
dphi_dt = T[phi] - (i*V1)*phi;
]]>
</operators>
</integrate>
<breakpoint filename="groundstate_break.xsil">
<dependencies>wavefunction potential</dependencies>
</breakpoint>
</sequence>
<output format="binary">
<group>
<sampling initial_sample="no">
<dimension name="y" />
<moments>dens</moments>
<dependencies>wavefunction</dependencies>
<![CDATA[
dens = mod2(phi);
]]>
</sampling>
</group>
<group>
<sampling initial_sample="no">
<moments>N</moments>
<dependencies>normalisation</dependencies>
<![CDATA[
N = Ncalc;
]]>
</sampling>
</group>
<group>
<sampling initial_sample="no">
<moments>N</moments>
<dimension name="y" lattice="0" />
<dependencies>wavefunction</dependencies>
<![CDATA[
N = mod2(phi);
]]>
</sampling>
</group>
</output>
<info>
Script compiled with xpdeint version VERSION_PLACEHOLDER (SUBVERSION_REVISION_PLACEHOLDER)
See http://www.xmds.org for more information.
</info>
<XSIL Name="moment_group_1">
<Param Name="n_independent">2</Param>
<Array Name="variables" Type="Text">
<Dim>3</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
t y dens
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>50</Dim>
<Dim>1024</Dim>
<Dim>3</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
groundstate_expected_mg0.dat
</Stream>
</Array>
</XSIL>
<XSIL Name="moment_group_2">
<Param Name="n_independent">1</Param>
<Array Name="variables" Type="Text">
<Dim>2</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
t N
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>50</Dim>
<Dim>2</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
groundstate_expected_mg1.dat
</Stream>
</Array>
</XSIL>
<XSIL Name="moment_group_3">
<Param Name="n_independent">1</Param>
<Array Name="variables" Type="Text">
<Dim>2</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
t N
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>50</Dim>
<Dim>2</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
groundstate_expected_mg2.dat
</Stream>
</Array>
</XSIL>
</simulation>
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