From 743a14aea067eeaa864da0b5848f6ff6b362d3f6 Mon Sep 17 00:00:00 2001 From: Aidan Thompson Date: Mon, 22 Jun 2020 09:35:16 -0600 Subject: [PATCH] Fixed incomplete documentation entries for mliap --- doc/src/Commands_pair.rst | 1 + doc/src/Packages_details.rst | 20 ++++++++++++++++++++ doc/src/Packages_standard.rst | 2 ++ doc/src/compute_sna_atom.rst | 1 - doc/src/pair_style.rst | 1 + 5 files changed, 24 insertions(+), 1 deletion(-) diff --git a/doc/src/Commands_pair.rst b/doc/src/Commands_pair.rst index 759c0bfbb3..c67ceb6d08 100644 --- a/doc/src/Commands_pair.rst +++ b/doc/src/Commands_pair.rst @@ -183,6 +183,7 @@ OPT. * :doc:`mesont/tpm ` * :doc:`mgpt ` * :doc:`mie/cut (g) ` + * :doc:`mliap ` * :doc:`mm3/switch3/coulgauss/long ` * :doc:`momb ` * :doc:`morse (gkot) ` diff --git a/doc/src/Packages_details.rst b/doc/src/Packages_details.rst index cb5a014ede..9c01f1a419 100644 --- a/doc/src/Packages_details.rst +++ b/doc/src/Packages_details.rst @@ -44,6 +44,7 @@ page gives those details. * :ref:`MC ` * :ref:`MESSAGE ` * :ref:`MISC ` + * :ref:`MLIAP ` * :ref:`MOLECULE ` * :ref:`MPIIO ` * :ref:`MSCG ` @@ -652,6 +653,25 @@ listing, "ls src/MISC", to see the list of commands. ---------- +.. _PKG-MLIAP: + +MLIAP package +------------ + +**Contents:** + +A general interface for machine-learning interatomic potentials. + +**Author:** Aidan Thompson (Sandia). + +**Supporting info:** + +* src/MLIAP: filenames -> commands +* :doc:`pair_style mliap ` +* examples/mliap + +---------- + .. _PKG-MOLECULE: MOLECULE package diff --git a/doc/src/Packages_standard.rst b/doc/src/Packages_standard.rst index 74a567e0b9..ca22515590 100644 --- a/doc/src/Packages_standard.rst +++ b/doc/src/Packages_standard.rst @@ -59,6 +59,8 @@ package: +----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ | :ref:`MISC ` | miscellaneous single-file commands | n/a | no | no | +----------------------------------+--------------------------------------+----------------------------------------------------+------------------------------------------------------+---------+ +| :ref:`MLIAP ` | multiple machine learning potentials | :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 | diff --git a/doc/src/compute_sna_atom.rst b/doc/src/compute_sna_atom.rst index f051278842..4e42c4523b 100644 --- a/doc/src/compute_sna_atom.rst +++ b/doc/src/compute_sna_atom.rst @@ -431,7 +431,6 @@ available at `arXiv:1409.3880 `_ **(Varshalovich)** Varshalovich, Moskalev, Khersonskii, Quantum Theory of Angular Momentum, World Scientific, Singapore (1987). -.. _Varshalovich1987: .. _Mason2009: diff --git a/doc/src/pair_style.rst b/doc/src/pair_style.rst index 19983a19d9..443573743d 100644 --- a/doc/src/pair_style.rst +++ b/doc/src/pair_style.rst @@ -291,6 +291,7 @@ accelerated styles exist. * :doc:`smd/tri_surface ` - * :doc:`smd/ulsph ` - * :doc:`smtbq ` - +* :doc:`mliap ` - Multiple styles of machine-learning potential * :doc:`snap ` - SNAP quantum-accurate potential * :doc:`soft ` - Soft (cosine) potential * :doc:`sph/heatconduction ` -