diff --git a/src/MLIAP/compute_mliap.cpp b/src/MLIAP/compute_mliap.cpp index 64753fe64f..72fb63ecda 100644 --- a/src/MLIAP/compute_mliap.cpp +++ b/src/MLIAP/compute_mliap.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include #include "mliap_data.h" diff --git a/src/MLIAP/mliap_data.cpp b/src/MLIAP/mliap_data.cpp index 3ada98e8c0..2559f5330d 100644 --- a/src/MLIAP/mliap_data.cpp +++ b/src/MLIAP/mliap_data.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_data.h" #include "atom.h" diff --git a/src/MLIAP/mliap_descriptor.cpp b/src/MLIAP/mliap_descriptor.cpp index b3e0cebd2e..ac168dc94b 100644 --- a/src/MLIAP/mliap_descriptor.cpp +++ b/src/MLIAP/mliap_descriptor.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_descriptor.h" using namespace LAMMPS_NS; diff --git a/src/MLIAP/mliap_descriptor_snap.cpp b/src/MLIAP/mliap_descriptor_snap.cpp index cfbc51cb5c..2cb88de6b4 100644 --- a/src/MLIAP/mliap_descriptor_snap.cpp +++ b/src/MLIAP/mliap_descriptor_snap.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_descriptor_snap.h" #include "atom.h" diff --git a/src/MLIAP/mliap_model.cpp b/src/MLIAP/mliap_model.cpp index a4f5cdc86c..aa198e6085 100644 --- a/src/MLIAP/mliap_model.cpp +++ b/src/MLIAP/mliap_model.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_model.h" #include "comm.h" diff --git a/src/MLIAP/mliap_model_linear.cpp b/src/MLIAP/mliap_model_linear.cpp index 428d163166..3c8f9aa39a 100644 --- a/src/MLIAP/mliap_model_linear.cpp +++ b/src/MLIAP/mliap_model_linear.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_model_linear.h" #include "pair_mliap.h" #include "mliap_data.h" diff --git a/src/MLIAP/mliap_model_python.cpp b/src/MLIAP/mliap_model_python.cpp index 1ac61f08b0..2aa588ff32 100644 --- a/src/MLIAP/mliap_model_python.cpp +++ b/src/MLIAP/mliap_model_python.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Nicholas Lubbers (LANL) +------------------------------------------------------------------------- */ + #include #include "mliap_model_python.h" #include "mliap_model_python_couple.h" diff --git a/src/MLIAP/mliap_model_quadratic.cpp b/src/MLIAP/mliap_model_quadratic.cpp index 222f6ad0ae..915ec30435 100644 --- a/src/MLIAP/mliap_model_quadratic.cpp +++ b/src/MLIAP/mliap_model_quadratic.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "mliap_model_quadratic.h" #include "pair_mliap.h" #include "mliap_data.h" diff --git a/src/MLIAP/mliappy_pytorch.py b/src/MLIAP/mliappy_pytorch.py index 5294344c10..ff80720ffa 100644 --- a/src/MLIAP/mliappy_pytorch.py +++ b/src/MLIAP/mliappy_pytorch.py @@ -1,3 +1,20 @@ +# ---------------------------------------------------------------------- +# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator +# http://lammps.sandia.gov, Sandia National Laboratories +# Steve Plimpton, sjplimp@sandia.gov +# +# Copyright (2003) Sandia Corporation. Under the terms of Contract +# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains +# certain rights in this software. This software is distributed under +# the GNU General Public License. +# +# See the README file in the top-level LAMMPS directory. +# ------------------------------------------------------------------------- + +# ---------------------------------------------------------------------- +# Contributing author: Nicholas Lubbers (LANL) +# ------------------------------------------------------------------------- + import numpy as np import torch diff --git a/src/MLIAP/pair_mliap.cpp b/src/MLIAP/pair_mliap.cpp index 7a2d5b14b5..5c0474d2ca 100644 --- a/src/MLIAP/pair_mliap.cpp +++ b/src/MLIAP/pair_mliap.cpp @@ -11,6 +11,10 @@ See the README file in the top-level LAMMPS directory. ------------------------------------------------------------------------- */ +/* ---------------------------------------------------------------------- + Contributing author: Aidan Thompson (SNL) +------------------------------------------------------------------------- */ + #include "pair_mliap.h" #include "mliap_data.h"