MICRESS-EarlyStageGrowth.xml

<WaNoTemplate>
  <WaNoMeta>
    <Author>
      <Name>Lukas Koschmieder</Name>
      <Email>l.koschmieder@access-technology.de</Email>
    </Author>
    <Description>
      This WaNo implements a simple MICRESS simulation of early stage growth from liquid state.
    </Description>
  </WaNoMeta>

  <WaNoRoot name="MICRESS">
    <WaNoDictBox name="Initial Microstructure">
      <WaNoFloat name="Critical Radius">0.1</WaNoFloat>
    </WaNoDictBox>
    <WaNoDictBox name="Phase Interactions">
      <WaNoFloat name="Entropy of Fusion">1.0</WaNoFloat>
      <WaNoFloat name="Equilibrium Temperature">1000.0</WaNoFloat>
      <WaNoFloat name="Interfacial Energy">1e-5</WaNoFloat>
    </WaNoDictBox>
    <WaNoDictBox name="Process Conditions">
      <WaNoFloat name="Initial Temperature">999.0</WaNoFloat>
    </WaNoDictBox>
    <WaNoDictBox name="Output">
      <WaNoFloat name="Output Interval">0.0125</WaNoFloat>
      <WaNoFloat name="Simulation Time">5.0</WaNoFloat>
    </WaNoDictBox>
  </WaNoRoot>

  <WaNoExecCommand>
    # Initialize and activate Conda environment
    simstack_server_mamba_source
    eval "$(conda shell.bash hook)"
    conda activate simstack-micress

    # Create MICRESS input file
    python create_input.py

    # Run MICRESS simulation
    MICRESS_noTQ.exe input.dri

    # Create SimStack output file
    python create_output.py
    ln -s output_dict.yml output.yml # Workaround for Issue #13
  </WaNoExecCommand>

  <WaNoInputFiles>
    <WaNoInputFile logical_filename="create_input.py">create_input.py</WaNoInputFile>
    <WaNoInputFile logical_filename="create_output.py">create_output.py</WaNoInputFile>
    <WaNoInputFile logical_filename="input.dri.j2">input.dri.j2</WaNoInputFile>
    <WaNoInputFile logical_filename="report_template.body">report_template.body</WaNoInputFile>
  </WaNoInputFiles>

  <WaNoOutputFiles>
    <WaNoOutputFile>output.yml</WaNoOutputFile>
  </WaNoOutputFiles>
</WaNoTemplate>