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akohlmey committed Oct 24, 2022
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4 changes: 2 additions & 2 deletions README
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Expand Up @@ -16,8 +16,8 @@ National Laboratories, a US Department of Energy facility, with
funding from the DOE. It is an open-source code, distributed freely
under the terms of the GNU Public License (GPL) version 2.

The primary author of the code is Steve Plimpton, who can be emailed
at [email protected]. The LAMMPS WWW Site at www.lammps.org has
The code is maintained by the LAMMPS development team who can be emailed
at [email protected]. The LAMMPS WWW Site at www.lammps.org has
more information about the code and its uses.

The LAMMPS distribution includes the following files and directories:
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2 changes: 1 addition & 1 deletion doc/src/Developer_updating.rst
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Expand Up @@ -7,7 +7,7 @@ source files provided as a supplement to a publication) that are written
for an older version of LAMMPS and thus need to be updated to be
compatible with the current version of LAMMPS. Due to the active
development of LAMMPS it is likely to always be incomplete. Please
contact developer@lammps.org in case you run across an issue that is not
contact developers@lammps.org in case you run across an issue that is not
(yet) listed here. Please also review the latest information about the
LAMMPS :doc:`programming style conventions <Modify_style>`, especially
if you are considering to submit the updated version for inclusion into
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran/libfwrapper.c
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran2/LAMMPS-wrapper.cpp
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran2/LAMMPS-wrapper.h
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran_dftb/LAMMPS-wrapper.cpp
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran_dftb/LAMMPS-wrapper.h
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran_dftb/LAMMPS-wrapper2.cpp
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/fortran_dftb/LAMMPS-wrapper2.h
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/* -----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/multiple/multiple.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/plugin/liblammpsplugin.c
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/plugin/liblammpsplugin.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/plugin/simple.c
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/simple/simple.c
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/simple/simple.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/simple/simple.f90
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! LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
! https://www.lammps.org/, Sandia National Laboratories
! The LAMMPS Developers, [email protected]
! LAMMPS development team: [email protected]
!
! Copyright (2003) Sandia Corporation. Under the terms of Contract
! DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/COUPLE/simple/simple_f77.f90
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! LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
! https://www.lammps.org/, Sandia National Laboratories
! The LAMMPS Developers, [email protected]
! LAMMPS development team: [email protected]
!
! Copyright (2003) Sandia Corporation. Under the terms of Contract
! DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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Expand Up @@ -3,7 +3,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
Steve Plimpton, [email protected]
LAMMPS Development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/PACKAGES/cgdna/util/generate.py
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Expand Up @@ -3,7 +3,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
Steve Plimpton, [email protected]
LAMMPS Development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/angle_zero2.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/angle_zero2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/bond_zero2.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
Expand Down
2 changes: 1 addition & 1 deletion examples/plugins/bond_zero2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/dihedral_zero2.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/dihedral_zero2.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/fix_nve2.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/fix_nve2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/improper_zero2.cpp
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@@ -1,7 +1,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
Expand Down
2 changes: 1 addition & 1 deletion examples/plugins/improper_zero2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/pair_morse2.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
Expand Down
2 changes: 1 addition & 1 deletion examples/plugins/pair_morse2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion examples/plugins/pair_morse2_omp.cpp
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/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
This software is distributed under the GNU General Public License.
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2 changes: 1 addition & 1 deletion examples/plugins/pair_morse2_omp.h
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/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
Expand Down
2 changes: 1 addition & 1 deletion examples/plugins/pair_zero2.cpp
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@@ -1,7 +1,7 @@
/* ----------------------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/, Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
Expand Down
2 changes: 1 addition & 1 deletion examples/plugins/pair_zero2.h
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@@ -1,7 +1,7 @@
/* -*- c++ -*- ----------------------------------------------------------
LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
https://www.lammps.org/ Sandia National Laboratories
The LAMMPS Developers, [email protected]
LAMMPS development team: [email protected]
Copyright (2003) Sandia Corporation. Under the terms of Contract
DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/examples/pizza/gl.py
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# Pizza.py toolkit, https://lammps.github.io/pizza
# Steve Plimpton, [email protected], Sandia National Laboratories
# LAMMPS Development team: [email protected], Sandia National Laboratories
#
# Copyright (2005) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/examples/pizza/vizinfo.py
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# Pizza.py toolkit, https://lammps.github.io/pizza
# Steve Plimpton, [email protected], Sandia National Laboratories
# LAMMPS Development team: [email protected], Sandia National Laboratories
#
# Copyright (2005) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/examples/pizza/vmd.py
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# Pizza.py toolkit, https://lammps.github.io/pizza
# Steve Plimpton, [email protected], Sandia National Laboratories
# LAMMPS Development team: [email protected], Sandia National Laboratories
#
# Copyright (2005) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/constants.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/core.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/data.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/formats.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/mliap/loader.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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2 changes: 1 addition & 1 deletion python/lammps/mliap/pytorch.py
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# ----------------------------------------------------------------------
# LAMMPS - Large-scale Atomic/Molecular Massively Parallel Simulator
# https://www.lammps.org/ Sandia National Laboratories
# Steve Plimpton, [email protected]
# LAMMPS Development team: [email protected]
#
# Copyright (2003) Sandia Corporation. Under the terms of Contract
# DE-AC04-94AL85000 with Sandia Corporation, the U.S. Government retains
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