<?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="breakpoint">
  <Param Name="n_independent">1</Param>
  <Array Name="variables" Type="Text">
    <Dim>5</Dim>
    <Stream><Metalink Format="Text" Delimiter=" \n"/>
y phiR phiI V1R V1I 
    </Stream>
  </Array>
  <Array Name="data" Type="double">
    <Dim>1024</Dim>
    <Dim>5</Dim>
    <Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
groundstate_expected_break.dat
    </Stream>
  </Array>
</XSIL>
</simulation>
