Added a paragraph to describe the regression-tests tool in Tools.rst

This commit is contained in:
Trung Nguyen
2024-08-19 15:44:23 -05:00
parent a69356a02f
commit 71d102402f

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