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|
<?xml version="1.0" encoding="UTF-8"?>
<simulation xmds-version="2">
<testing>
<command_line>mpirun -n 4 ./RbGS</command_line>
<xsil_file name="RbGS.xsil" expected="RbGS_expected.xsil" absolute_tolerance="1e-4" relative_tolerance="1e-4" />
<xsil_file name="potential.xsil" expected="potential_expected.xsil" absolute_tolerance="1e-4" relative_tolerance="1e-4" />
<xsil_file name="RbGSa.xsil" expected="RbGSa_expected.xsil" absolute_tolerance="1e-4" relative_tolerance="1e-4" />
</testing>
<name>RbGS</name>
<author>Robin Stevenson</author>
<description>
Three dimensional harmonic trap Ground state calculation. cigar trap.
</description>
<features>
<halt_non_finite />
<auto_vectorise />
<benchmark />
<bing />
<!-- <openmp /> -->
<fftw plan="measure" />
<!-- <diagnostics /> -->
<globals>
<![CDATA[
/*constants*/
const double hbar = 1.054e-34;
const double massRb = 1.44316e-25;
const double c0OnHbar = 5.16891e-51/hbar; //for Rb-87
const double c2OnHbar = -2.38868e-53/hbar;
const double cd = 2.1501769e-54; // =mu0 * muB^2 *Gf^2 / 4pi --> this is for rubidium
const double cdOnHbar = 2.1501769e-54/hbar; // =mu0 * muB^2 *Gf^2 / 4pi --> this is for rubidium
const double gamma1 = 4.39943e10;
const double Sqrt2 = pow(2.0, 0.5);
const double a3dSqrt2 = 3.0/pow(2.0, 0.5);
const double Pi = 3.141592654;
/*experimental variables*/
const double ratio = 1.0/40.0;
const double omegap = 2*3.141592654*3000;
const double N0 = 1.0e5; //Note this change
const double B = 73.0e-7;
const double gamma1B = gamma1*B;
const double muOnHbar = 0.0*24411.0;
]]>
</globals>
</features>
<driver name="distributed-mpi" />
<geometry>
<propagation_dimension>t</propagation_dimension>
<transverse_dimensions>
<dimension name="x" lattice="32" domain="(-2.2e-6, 2.2e-6)" />
<dimension name="y" lattice="32" domain="(-2.2e-6, 2.2e-6)" />
<dimension name="z" lattice="32" domain="(-90.0e-6, 90.0e-6)" />
</transverse_dimensions>
</geometry>
<vector name="wavefunction" initial_basis="x y z" type="complex">
<components>
phi1 phi0 phim1
</components>
<initialisation>
<![CDATA[
phi1 = (x<1.0e-6 ? (y<1.0e-6 ? (z<40.0e-6 ? 1.0 : 0.0) : 0.0) : 0.0 );
phi0 = 0.0;
phim1 = 0.0;
]]>
</initialisation>
</vector>
<vector name="potential" type="double">
<components>
VtrapOnHbar
</components>
<initialisation>
<![CDATA[
//VtrapOnHbar = 0.5* massRb * omegap*omegap*(x*x + y*y + z*z*ratio*ratio);
VtrapOnHbar = x*x+y*y+z*z*ratio*ratio < 2.0*2.0e-12 ? 0.5 * massRb * omegap * omegap * (x*x+y*y+z*z*ratio*ratio)/hbar-muOnHbar : 0.5 * massRb * omegap * omegap * 2.0*2.0e-12/hbar-muOnHbar;
]]>
</initialisation>
</vector>
<computed_vector name="spins" type="complex">
<components>
Sz Splus Sminus S0
</components>
<evaluation>
<dependencies>
wavefunction
</dependencies>
<![CDATA[
S0 = mod2(phi1) + mod2(phi0) + mod2(phim1);
Splus = conj(phi1)*phi0 + conj(phi0)*phim1;
Sminus = conj(phi0)*phi1 + conj(phim1)*phi0;
//Sx = Sqrt2*(phi1.re * phi0.re - phi1.im * phi0.im + phi0.re * phim1.re - phi0.im * phim1.im);
//Sy = Sqrt2*(phim1.im * phi0.re - phim1.re * phi0.im - phi0.re * phi1.im + phi0.im * phi1.re);
Sz = mod2(phi1)- mod2(phim1);
// Splus = Sx + i*Sy;
// Sminus = conj(Splus);
]]>
</evaluation>
</computed_vector>
<computed_vector type="complex" name="bilinear" dimensions="x y z">
<components>b11 bm1m1 b10 b01 bm10 b0m1</components>
<evaluation>
<dependencies fourier_space="x y z">wavefunction</dependencies>
<![CDATA[
b11 = mod2(phi1);
bm1m1 = mod2(phim1);
b10 = conj(phi1)*phi0;
b01 = conj(phi0)*phi1;
bm10 = conj(phim1)*phi0;
b0m1 = conj(phi0)*phim1;
]]>
</evaluation>
</computed_vector>
<vector name="DipoleTerms" type="complex" initial_basis="kx ky kz">
<components>DA DB DC DCstar DE DEstar</components>
<initialisation>
<![CDATA[
double Ksqd = kx*kx + ky*ky + kz*kz;
DA = Ksqd<1.0 ? 0.0*i : -4*Pi/3 * (1 - 3 * kz*kz /Ksqd) + 0.0*i;
DB = Ksqd<1.0 ? 0.0*i : 2*Pi/3 * (1 - 3 * kz*kz /Ksqd) + 0.0*i;
DC = Ksqd<1.0 ? 0.0*i : 2* 2*Pi/3 * (kx - i * ky)*kz/Ksqd;
DCstar = Ksqd<1.0 ? 0.0*i : 2* 2*Pi/3 * (kx + i * ky)*kz/Ksqd;
DE = Ksqd < 1.0 ? 0.0*i : -4*Pi/3 * (kx - i*ky)*(kx - i*ky) / Ksqd;
DEstar = Ksqd < 1.0 ? 0.0*i : -4*Pi/3 * (kx + i*ky)*(kx + i*ky) / Ksqd;
]]>
</initialisation>
</vector>
<computed_vector name="dipoles" type="complex" dimensions="x y z">
<components>Dz Dplus Dminus</components>
<evaluation>
<dependencies fourier_space="kx ky kz">DipoleTerms bilinear</dependencies>
<![CDATA[
Dz = DA*(b11 - bm1m1) - a3dSqrt2 * DC*(b10 + b0m1) - a3dSqrt2 * DCstar*(bm10 + b01);
Dplus = DB*(b10 + b0m1) -1.5 * DEstar*(b01 + bm10) - a3dSqrt2 * DCstar*(b11 - bm1m1);
Dminus = DB*(b01 + bm10) -1.5 * DE*(b10 + b0m1) - a3dSqrt2 * DC*(b11 - bm1m1);
]]>
</evaluation>
</computed_vector>
<computed_vector name="normalisation" dimensions="" type="double">
<components>
Ncalc
</components>
<evaluation>
<dependencies fourier_space="x y z">wavefunction</dependencies>
<![CDATA[
// Calculate the current normalisation of the wave function.
Ncalc = mod2(phi1) + mod2(phi0) + mod2(phim1);
]]>
</evaluation>
</computed_vector>
<sequence>
<breakpoint filename="potential.xsil">
<dependencies>
potential
</dependencies>
</breakpoint>
<integrate algorithm="RK4" interval="15.0e-7" steps="5">
<samples>1 1 1 1</samples>
<filters>
<filter>
<dependencies>wavefunction normalisation</dependencies>
<![CDATA[
// Correct normalisation of the wavefunction
phi1 *= sqrt(N0/Ncalc);
phi0 *= sqrt(N0/Ncalc);
phim1 *= sqrt(N0/Ncalc);
]]>
</filter>
</filters>
<operators>
<operator kind="ip" constant="yes">
<operator_names>T</operator_names>
<![CDATA[
T = -0.5*hbar*(kx*kx+ky*ky+kz*kz)/massRb;
]]>
</operator>
<dependencies>potential spins dipoles</dependencies>
<integration_vectors>wavefunction</integration_vectors>
<![CDATA[
dphi1_dt = T[phi1] + ((-VtrapOnHbar)*phi1 -c0OnHbar*S0*phi1 -c2OnHbar*(Sz*phi1 + Sminus*phi0) +gamma1B*phi1 -cdOnHbar*(phi1*Dz + phi0*Dminus));
dphi0_dt = T[phi0] + ((-VtrapOnHbar)*phi0 -c0OnHbar*S0*phi0 -c2OnHbar*(Splus*phi1 + Sminus*phim1) -cdOnHbar*(phi1*Dplus + phim1*Dminus));
dphim1_dt = T[phim1] + ((-VtrapOnHbar)*phim1 -c0OnHbar*S0*phim1 -c2OnHbar*(-Sz*phim1 + Splus*phi0) -gamma1B*phim1 -cdOnHbar*(-phim1*Dz + phi0*Dplus));
]]>
</operators>
</integrate>
<filter>
<dependencies>wavefunction normalisation</dependencies>
<![CDATA[
// Correct normalisation of the wavefunction
phi1 *= sqrt(N0/Ncalc);
phi0 *= sqrt(N0/Ncalc);
phim1 *= sqrt(N0/Ncalc);
]]>
</filter>
<breakpoint filename="potential.xsil">
<dependencies>
potential
</dependencies>
</breakpoint>
<breakpoint filename="RbGSa.xsil">
<dependencies>
wavefunction
</dependencies>
</breakpoint>
</sequence>
<output format="binary">
<sampling_group initial_sample="no">
<dimension name="x" lattice="16" fourier_space="no" />
<dimension name="y" lattice="16" fourier_space="no" />
<dimension name="z" fourier_space="no" />
<moments>phi1re dens0 densm1 phi1im dens1</moments>
<dependencies>wavefunction</dependencies>
<![CDATA[
dens1 = mod2(phi1);
densm1 = mod2(phim1);
phi1re = real(phi1);
dens0 = mod2(phi0);
phi1im = imag(phi1);
]]>
</sampling_group>
<sampling_group initial_sample="no">
<dimension name="x" lattice="16" fourier_space="yes" />
<dimension name="y" lattice="16" fourier_space="yes" />
<dimension name="z" fourier_space="yes" />
<moments>dens1</moments>
<dependencies>wavefunction</dependencies>
<![CDATA[
dens1 = mod2(phi1);
]]>
</sampling_group>
<sampling_group initial_sample="yes">
<dimension name="x" lattice="0" fourier_space="no" />
<dimension name="y" lattice="0" fourier_space="no" />
<dimension name="z" lattice="0" fourier_space="no" />
<moments>N1 N0 Nm1</moments>
<dependencies>wavefunction</dependencies>
<![CDATA[
N1 = mod2(phi1);
N0 = mod2(phi0);
Nm1 = mod2(phim1);
]]>
</sampling_group>
<sampling_group initial_sample="no">
<dimension name="x" lattice="0" fourier_space="no" />
<dimension name="y" lattice="0" fourier_space="no" />
<dimension name="z" lattice="0" fourier_space="no" />
<moments>E1OnHbarRe E1OnHbarIm</moments>
<operator kind="ex" constant="no">
<operator_names>T2</operator_names>
<![CDATA[
T2 = -0.5*hbar*(kx*kx+ky*ky+kz*kz)/massRb;
]]>
</operator>
<dependencies>wavefunction potential spins dipoles</dependencies>
<![CDATA[
E1OnHbarRe = real(conj(phi1)*(T2[phi1] + (-VtrapOnHbar)*phi1 -c0OnHbar*S0*phi1 -c2OnHbar*(Sz*phi1 + Sminus*phi0) +gamma1B*phi1 -cdOnHbar*(phi1*Dz + phi0*Dminus)));
E1OnHbarIm = imag(conj(phi1)*(T2[phi1] + (-VtrapOnHbar)*phi1 -c0OnHbar*S0*phi1 -c2OnHbar*(Sz*phi1 + Sminus*phi0) +gamma1B*phi1 -cdOnHbar*(phi1*Dz + phi0*Dminus)));
]]>
</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">3</Param>
<Array Name="variables" Type="Text">
<Dim>8</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
x y z phi1re dens0 densm1 phi1im dens1
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>16</Dim>
<Dim>16</Dim>
<Dim>32</Dim>
<Dim>8</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
RbGS_expected_mg0.dat
</Stream>
</Array>
</XSIL>
<XSIL Name="moment_group_2">
<Param Name="n_independent">3</Param>
<Array Name="variables" Type="Text">
<Dim>4</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
kx ky kz dens1
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>16</Dim>
<Dim>16</Dim>
<Dim>32</Dim>
<Dim>4</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
RbGS_expected_mg1.dat
</Stream>
</Array>
</XSIL>
<XSIL Name="moment_group_3">
<Param Name="n_independent">1</Param>
<Array Name="variables" Type="Text">
<Dim>4</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
t N1 N0 Nm1
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>2</Dim>
<Dim>4</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
RbGS_expected_mg2.dat
</Stream>
</Array>
</XSIL>
<XSIL Name="moment_group_4">
<Param Name="n_independent">0</Param>
<Array Name="variables" Type="Text">
<Dim>2</Dim>
<Stream><Metalink Format="Text" Delimiter=" \n"/>
E1OnHbarRe E1OnHbarIm
</Stream>
</Array>
<Array Name="data" Type="double">
<Dim>2</Dim>
<Stream><Metalink Format="Binary" UnsignedLong="uint32" precision="double" Type="Remote" Encoding="LittleEndian"/>
RbGS_expected_mg3.dat
</Stream>
</Array>
</XSIL>
</simulation>
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