diff --git a/doc/src/Errors_details.rst b/doc/src/Errors_details.rst index b0d1393bf6..3ab843a6ea 100644 --- a/doc/src/Errors_details.rst +++ b/doc/src/Errors_details.rst @@ -12,7 +12,9 @@ following are discussions of such cases. - :ref:`Incorrect format in ... section of data file ` - :ref:`Illegal variable command: expected X arguments but found Y ` - :ref:`Out of range atoms - cannot compute ... ` +- :ref:`Lost atoms ... ` - :ref:`Too many neighbor bins ` +- :ref:`Unrecognized pair style ... is part of ... package which is not enabled in this LAMMPS binary ` - :ref:`Cannot use neighbor bins - box size \<\< cutoff ` - :ref:`Domain too large for neighbor bins ` - :ref:`Incorrect args for pair coefficients (also bond/angle/dihedral/improper coefficients) ` @@ -288,9 +290,28 @@ Too many neighbor bins The simulation box has become too large relative to the size of a neighbor bin and LAMMPS is unable to store the needed number of bins. This typically implies the simulation box has expanded too far. -This can happen when some atoms move rapidly apart with shrink-wrap -boundaries or when a fix (like fix deform or a barostat) excessively -grows the simulation box. +This can happen when some atoms move rapidly apart with shrink-wrap boundaries +or when a fix (like fix deform or a barostat) excessively grows the simulation +box. + +.. _err0010: + +Unrecognized pair style ... is part of ... package which is not enabled in this LAMMPS binary +--------------------------------------------------------------------------------------------- + +The LAMMPS executable (binary) being used was not compiled with a package +containing the specified pair style. This indicates that the executable needs to +be re-built after enabling the correct package in the relevant Makefile or CMake +build directory, see :ref:`Section 3. Build LAMMPS ` for more details. +One can check if the expected package and pair style is present in the +executable by running it with the ``-help`` (or ``-h``) flag on the command +line. One common oversight, especially for beginner LAMMPS users, is to enable +the package, but to forget to run commands to rebuild (e.g., to run the final +``make`` or ``cmake`` command). + +If this error is occurring with an executable that the user does not control +(e.g., through a module on HPC clusters), the user will need to get in contact +with the relevant person or people who can update the executable. .. _err0015: