diff --git a/doc/src/Tools.rst b/doc/src/Tools.rst index cba45dc9e3..6c12baf967 100644 --- a/doc/src/Tools.rst +++ b/doc/src/Tools.rst @@ -96,7 +96,7 @@ Miscellaneous tools * :ref:`LAMMPS-GUI ` * :ref:`LAMMPS magic patterns for file(1) ` * :ref:`Offline build tool ` - * :ref:`regression tests ` + * :ref:`Regression tester ` * :ref:`singularity/apptainer ` * :ref:`SWIG interface ` * :ref:`valgrind ` @@ -994,19 +994,20 @@ README for more info on Pizza.py and how to use these scripts. .. _regression: -regression tests tool --------------------------- +Regression tester 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 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` +subdirectories, 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 subdirectory. 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 quantities 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. diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 200770fa5e..f1d9c0b748 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2472,6 +2472,7 @@ ncol ncorr ncount nd +ndactrung ndescriptors ndihedrals Ndihedraltype diff --git a/tools/README b/tools/README index d7bf605726..c1f49c48c6 100644 --- a/tools/README +++ b/tools/README @@ -40,6 +40,7 @@ phonon post-process output of the fix phonon command polybond Python tool for programmable polymer bonding pymol_asphere convert LAMMPS output of ellipsoids to PyMol format python Python scripts for post-processing LAMMPS output +regression-tests Python script to run regression tests using the example input replica tool to reorder LAMMPS replica trajectories according to temperature singularity Singularity container descriptions suitable for LAMMPS development smd convert Smooth Mach Dynamics triangles to VTK