Added a paragraph to describe the regression-tests tool in Tools.rst
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@ -96,6 +96,7 @@ Miscellaneous tools
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* :ref:`LAMMPS GUI <lammps_gui>`
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* :ref:`LAMMPS GUI <lammps_gui>`
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* :ref:`LAMMPS magic patterns for file(1) <magic>`
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* :ref:`LAMMPS magic patterns for file(1) <magic>`
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* :ref:`Offline build tool <offline>`
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* :ref:`Offline build tool <offline>`
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* :ref:`Regression tests <regression>`
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* :ref:`singularity/apptainer <singularity_tool>`
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* :ref:`singularity/apptainer <singularity_tool>`
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* :ref:`SWIG interface <swig>`
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* :ref:`SWIG interface <swig>`
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* :ref:`vim <vim>`
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* :ref:`vim <vim>`
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@ -1180,6 +1181,29 @@ README for more info on Pizza.py and how to use these scripts.
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----------
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----------
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.. _regression:
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Regression tests tool
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--------------------------
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The regression-tests subdirectory contains a tool for performing regression
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tests with a given LAMMPS binary. The tool launches the LAMMPS binary with
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any given input script under one of the `examples` subfolders, and compares
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the thermo output in the generated log file with those in the provided log file
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with the same number of processors ub the same subfolder. If the differences
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between the actual and reference values are within specified tolerances,
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the test is considered passed. For each test batch, that is, a set of example
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input scripts, the mpirun command, the LAMMPS command line arguments,
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and the tolerances for individual thermo quantites can be specified
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in a configuration file in YAML format.
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The tool also reports if and how the run fails, and if a reference log file
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is missing. See the README file for more information.
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This tool was written by Trung Nguyen at U of Chicago (ndactrung at gmail.com).
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----------
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.. _replica:
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.. _replica:
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replica tool
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replica tool
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