diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index ebbd6dd0b4..e04013915f 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -675,11 +675,11 @@ The version of python must be >3.5. **Supporting info:** * src/MLIAP: filenames -> commands -* src/MLIAPPY/README +* src/MLIAP/README * :doc:`pair_style mliap ` * examples/mliap (see README) -When compiled with the LMP_MLIAPPY option, this package +When compiled with the -DLMP_MLIAPPY flag, this package includes an extension for coupling with python models, incuding PyTorch The python interpreter linked to LAMMPS will need cython and numpy installed. diff --git a/doc/src/Packages_standard.rst b/doc/src/Packages_standard.rst index 800fd3c501..ab9be69ab3 100644 --- a/doc/src/Packages_standard.rst +++ b/doc/src/Packages_standard.rst @@ -61,8 +61,6 @@ package: +----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MLIAP ` | multiple machine learning potentials | :doc:`pair_style mliap ` | mliap | no | +----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ -| :ref:`MLIAPPY ` | enable python ML models for mliap | :doc:`pair_style mliap ` | mliap | no | -+----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MOLECULE ` | molecular system force fields | :doc:`Howto bioFF ` | peptide | no | +----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MPIIO ` | MPI parallel I/O dump and restart | :doc:`dump ` | n/a | no |