Commit 84f3b357 authored by Islam, Fahima's avatar Islam, Fahima
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sample_assembly file uploaded

parent dcab9560
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grid_SQ/H.xyz

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2
1.67 0 0   0 1.67 0   0 0 1.67
H 0  0  0
H 0.5 0.5 0.5



grid_SQ/H_sqe.h5

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<?xml version="1.0"?>

<!DOCTYPE scatterer>

<!-- mcweights: monte-carlo weights for 3 possible processes:
     absorption, scattering, transmission -->
<!--homogeneous_scatterer
    mcweights="0.333, 0.333, 0.333"
    max_multiplescattering_loops="1"
    -->
<homogeneous_scatterer>
  <KernelContainer average="yes">

  <!--  <Phonon_IncoherentElastic_Kernel dw_core='0.00701434948808*angstrom**2'>
</Phonon_IncoherentElastic_Kernel> -->

    <SQkernel Q-range='1.5*angstrom**-1,11.5*angstrom**-1'>
        <GridSQ histogram-hdf-path="test.h5/S" auto-normalization='1'/>
    </SQkernel>

  </KernelContainer>
</homogeneous_scatterer>

<!-- weights: absorption, scattering, transmission -->

grid_SQ/sample.xml

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    <rotation>
        <cylinder height="1*mm" radius="1*mm"/>
        <angle>90.*deg</angle>
        <axis beam="1" transversal="0.0" vertical="0.0" />
    </rotation>
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rotate(90.0, [1.0, 0.0, 0.0]) {
    cylinder(h = 1.0, r = 1.0, $fn=100, center=true);
}
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