exhaustive_gs.physeng

<?xml version="1.0" encoding="UTF-8"?>

<!-- 
Available path/command replacements:
@INTERP@        : Interpreter command/path (cannot be used in the interpreter field).
@PYTHON@        : Use a Python interpreter command/path provided by SiQAD (either from the default settings or the user's overriden choice).
@BINPATH@       : Path to the binary or script path to the engine (cannot be used in the bin_path field).
@PHYSENGPATH@   : Path to the directory containing this *.physeng file.
@PROBLEMPATH@   : Path to the problem file describing the simulation problem and parameters.
@RESULTPATH@    : Path to the result file that will be read by SiQAD after the simulation is complete.
@JOBTMP@        : Temporary path for this simulation job to store generated files.

These replacements are done on the following fields:
interpreter, bin_path, command
-->

<physeng>
    <name>ExhaustiveGS</name>
    <version>0.2.2</version>
    <description>Exhaustively search for the ground state electron configuration.</description>
    <!-- Services this plugin provides, used by SimManager and DesignAssistant classes to identify the type of simulation or assistance this plugin can provide. Comma separated, spaces are neither ignored nor truncated. -->
    <services>ElectronGroundState</services>
    <!-- Path to the engine script or compiled binary. -->
    <!--<bin_path>@PHYSENGPATH@/simanneal</bin_path> TODO switch to this form later-->
    <bin_path>exhaustive_gs</bin_path> <!-- path to binary or script, relative to the folder containing engine_description.xml -->
    <!-- Selection of invocation commands to call this engine. The first one is the one that is shown in SiQAD by default. TODO tie this to presets in some ways. -->
    <commands>
        <!-- Default command. -->
        <command label="Ground State Only">
            <program>@BINPATH@</program>
            <arg>@PROBLEMPATH@</arg>
            <arg>@RESULTPATH@</arg>
        </command>
        <!-- Import potentials from PoisSolver. -->
        <command label="Import PoisSolver Potentials">
            <program>@BINPATH@</program>
            <arg>@PROBLEMPATH@</arg>
            <arg>@RESULTPATH@</arg>
            <arg>--ext-pots-file</arg>
            <arg>@JOBTMP@/db_pots.json</arg>
        </command>
        <!-- Import potentials from PoisSolver. -->
        <command label="QUBO Mapping (no metastability check)">
            <program>@BINPATH@</program>
            <arg>@PROBLEMPATH@</arg>
            <arg>@RESULTPATH@</arg>
            <arg>--qubo</arg>
        </command>
    </commands>
    <!-- Python dependencies file path, relative to the directory containing this physeng file. -->
    <dep_path></dep_path> 
    <!-- Simulation parameters, read into SiQAD as a property map. -->
    <sim_params preserve_order="true">
        <num_threads>
            <T>int</T>
            <val>-1</val>
            <label>Thread count</label>
            <tip>The number of concurrent threads to use. If left at -1, all available CPU cores are used.</tip>
        </num_threads>
        <muzm>
            <T>float</T>
            <val>-0.25</val>
            <dp>2</dp>
            <label>mu (0/- transition level - Fermi level)</label>
            <tip>The global Fermi level on the surface, higher value brings more electrons to the surface.</tip>
        </muzm>
        <eps_r>
            <T>float</T>
            <val>5.6</val>
            <dp>2</dp>
            <label>Relative permittivity</label>
            <tip>Surface relative permittivity. Original default was 6.35, changed to 5.6 after Huff's fitting in the paper Binary Atomic Silicon Logic on Nature Electronics.</tip>
        </eps_r>
        <debye>
            <T>float</T>
            <val>5</val>
            <label>Debye length (nm)</label>
            <tip>Debye length for screening.</tip>
        </debye>
        <base>
            <T>int</T>
            <val>3</val>
            <label>State count</label>
            <tip>Specify 2- or 3-state simulation.</tip>
        </base>
        <!--<auto_fail_threshold>
            <T>int</T>
            <val>15</val>
            <label>Auto-fail DB count (read hover tip)</label>
            <tip>Refuse to run problems with DB count greater than the specified size as a sanity check against running simulations that would take forever. Increase this number at your will, but keep in mind that the 3-state search problem space is 3^N where N is the DB count.</tip>
        </auto_fail_threshold>-->
        <scope>
            <T>string</T>
            <val>ground</val>
            <label>Result scope</label>
            <tip>Types of results to include.</tip>
            <value_selection type="ComboBox">
              <ground>Ground states only</ground>
              <valid>All metastable</valid>
              <all>All results</all>
            </value_selection>
        </scope>
        <autofail>
            <T>int</T>
            <val>16</val>
            <label>Autofail problem size</label>
            <tip>Problems with greater than this number of DBs will fail automatically to prevent accidental invocation of prohibitively long simulation. Increase at your own risk.</tip>
        </autofail>
    </sim_params>
</physeng>