diff --git a/doc/src/Commands_compute.rst b/doc/src/Commands_compute.rst index a54c4b4e03..4d2ceabb4d 100644 --- a/doc/src/Commands_compute.rst +++ b/doc/src/Commands_compute.rst @@ -80,6 +80,7 @@ KOKKOS, o = USER-OMP, t = OPT. * :doc:`ke/eff ` * :doc:`ke/rigid ` * :doc:`mesont ` + * :doc:`mliap ` * :doc:`momentum ` * :doc:`msd ` * :doc:`msd/chunk ` diff --git a/doc/src/compute.rst b/doc/src/compute.rst index 754cc3e1aa..b74d2f70ba 100644 --- a/doc/src/compute.rst +++ b/doc/src/compute.rst @@ -225,6 +225,7 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`ke/atom/eff ` - per-atom translational and radial kinetic energy in the electron force field model * :doc:`ke/eff ` - kinetic energy of a group of nuclei and electrons in the electron force field model * :doc:`ke/rigid ` - translational kinetic energy of rigid bodies +* :doc:`mliap ` - gradients of energy and forces w.r.t. model parameters and related quantities for training machine learning interatomic potentials * :doc:`momentum ` - translational momentum * :doc:`msd ` - mean-squared displacement of group of atoms * :doc:`msd/chunk ` - mean-squared displacement for each chunk @@ -273,7 +274,7 @@ The individual style names on the :doc:`Commands compute ` doc * :doc:`smd/ulsph/strain/rate ` - * :doc:`smd/ulsph/stress ` - per-particle Cauchy stress tensor and von Mises equivalent stress in Smooth Mach Dynamics * :doc:`smd/vol ` - per-particle volumes and their sum in Smooth Mach Dynamics -* :doc:`snap ` - bispectrum components and related quantities for a group of atoms +* :doc:`snap ` - gradients of SNAP energy and forces w.r.t. linear coefficients and related quantities for fitting SNAP potentials * :doc:`sna/atom ` - bispectrum components for each atom * :doc:`snad/atom ` - derivative of bispectrum components for each atom * :doc:`snav/atom ` - virial contribution from bispectrum components for each atom diff --git a/doc/utils/sphinx-config/false_positives.txt b/doc/utils/sphinx-config/false_positives.txt index 2bc3c2a0f6..9f188bd2f8 100644 --- a/doc/utils/sphinx-config/false_positives.txt +++ b/doc/utils/sphinx-config/false_positives.txt @@ -2081,6 +2081,7 @@ Novint np Npair Npairs +nparams nparticle npernode nph