From 659d3957964015f24dc04f989f62501b597b8efe Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Wed, 1 Oct 2025 08:41:00 +0200 Subject: [PATCH 1/2] updated README --- .dependencies/.github | 2 +- README.md | 9 ++++----- 2 files changed, 5 insertions(+), 6 deletions(-) diff --git a/.dependencies/.github b/.dependencies/.github index 403153c..350505c 160000 --- a/.dependencies/.github +++ b/.dependencies/.github @@ -1 +1 @@ -Subproject commit 403153c544c08df6408956e4798d9ac94f3d15e8 +Subproject commit 350505ca903d74f6f1d02c4367c46365c48ea514 diff --git a/README.md b/README.md index bf3ae9e..e15f52f 100644 --- a/README.md +++ b/README.md @@ -41,10 +41,9 @@ the main repository for LAMMPS tutorial. ## Acknowledgements -- Simon Gravelle acknowledges funding from the European Union's Horizon 2020 - research and innovation programme under the Marie Skłodowska-Curie grant - agreement N°101065060. -- Axel Kohlmeyer acknowledges financial support from Sandia National Laboratories - under POs 2149742 and 2407526. +Simon Gravelle acknowledges funding from the European Union's Horizon 2020 +research and innovation programme under the Marie Skłodowska-Curie grant +agreement N°101065060. Axel Kohlmeyer acknowledges financial support from +Sandia National Laboratories under POs 2149742 and 2407526. From dd3dce70b883af02df293ce52491beabd8e01928 Mon Sep 17 00:00:00 2001 From: Simon Gravelle Date: Wed, 1 Oct 2025 08:41:24 +0200 Subject: [PATCH 2/2] updated DOI --- tutorial1/improved.md.lmp | 3 ++- tutorial1/improved.min.lmp | 3 ++- tutorial1/initial.lmp | 3 ++- tutorial2/breakable-with-tip.lmp | 3 ++- tutorial2/breakable-yaml-reader.py | 3 ++- tutorial2/breakable.lmp | 3 ++- tutorial2/unbreakable-yaml-reader.py | 3 ++- tutorial2/unbreakable.inc | 3 ++- tutorial2/unbreakable.lmp | 3 ++- tutorial3/merge.lmp | 3 ++- tutorial3/parameters.inc | 3 ++- tutorial3/peg.mol | 3 ++- tutorial3/pull-with-tip.lmp | 3 ++- tutorial3/pull.lmp | 3 ++- tutorial3/water.lmp | 3 ++- tutorial3/water.mol | 3 ++- tutorial4/create.lmp | 3 ++- tutorial4/equilibrate.lmp | 3 ++- tutorial4/groups.inc | 3 ++- tutorial4/parameters.inc | 3 ++- tutorial4/shearing.lmp | 3 ++- tutorial4/water.mol | 3 ++- tutorial5/decorate.lmp | 3 ++- tutorial5/deform.lmp | 3 ++- tutorial5/relax.lmp | 3 ++- tutorial6/H2O.mol | 3 ++- tutorial6/cracking.lmp | 3 ++- tutorial6/gcmc.lmp | 3 ++- tutorial6/generate.lmp | 3 ++- tutorial7/free-sampling.lmp | 3 ++- tutorial7/umbrella-sampling.lmp | 3 ++- tutorial8/mixing.lmp | 3 ++- tutorial8/polymerize.lmp | 3 ++- 33 files changed, 66 insertions(+), 33 deletions(-) diff --git a/tutorial1/improved.md.lmp b/tutorial1/improved.md.lmp index 6ccbcff..f7ff15f 100644 --- a/tutorial1/improved.md.lmp +++ b/tutorial1/improved.md.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # 1) Initialization diff --git a/tutorial1/improved.min.lmp b/tutorial1/improved.min.lmp index 48778e7..da2ab66 100644 --- a/tutorial1/improved.min.lmp +++ b/tutorial1/improved.min.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # 1) Initialization diff --git a/tutorial1/initial.lmp b/tutorial1/initial.lmp index 1363d5f..6c8eb8c 100644 --- a/tutorial1/initial.lmp +++ b/tutorial1/initial.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # PART A - ENERGY MINIMIZATION diff --git a/tutorial2/breakable-with-tip.lmp b/tutorial2/breakable-with-tip.lmp index 92d05f2..879b34a 100644 --- a/tutorial2/breakable-with-tip.lmp +++ b/tutorial2/breakable-with-tip.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units metal diff --git a/tutorial2/breakable-yaml-reader.py b/tutorial2/breakable-yaml-reader.py index 702a59a..de11bf7 100644 --- a/tutorial2/breakable-yaml-reader.py +++ b/tutorial2/breakable-yaml-reader.py @@ -1,7 +1,8 @@ # Python Script # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials import numpy as np import re diff --git a/tutorial2/breakable.lmp b/tutorial2/breakable.lmp index 15cd14f..adf19d3 100644 --- a/tutorial2/breakable.lmp +++ b/tutorial2/breakable.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units metal diff --git a/tutorial2/unbreakable-yaml-reader.py b/tutorial2/unbreakable-yaml-reader.py index 600e135..42eaa27 100644 --- a/tutorial2/unbreakable-yaml-reader.py +++ b/tutorial2/unbreakable-yaml-reader.py @@ -1,7 +1,8 @@ # Python Script # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials import numpy as np diff --git a/tutorial2/unbreakable.inc b/tutorial2/unbreakable.inc index 07bc06b..777fa6a 100644 --- a/tutorial2/unbreakable.inc +++ b/tutorial2/unbreakable.inc @@ -1,7 +1,8 @@ # LAMMPS Include File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials pair_coeff 1 1 0.066 3.4 diff --git a/tutorial2/unbreakable.lmp b/tutorial2/unbreakable.lmp index dc1756a..2084578 100644 --- a/tutorial2/unbreakable.lmp +++ b/tutorial2/unbreakable.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units real diff --git a/tutorial3/merge.lmp b/tutorial3/merge.lmp index 25e9e15..0ee3c6e 100644 --- a/tutorial3/merge.lmp +++ b/tutorial3/merge.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials kspace_style pppm 1e-5 diff --git a/tutorial3/parameters.inc b/tutorial3/parameters.inc index cd6ee5a..9c795ec 100644 --- a/tutorial3/parameters.inc +++ b/tutorial3/parameters.inc @@ -1,7 +1,8 @@ # LAMMPS Include File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials labelmap atom 1 OE 2 C 3 HC 4 H 5 CPos 6 OAlc 7 OW 8 HW diff --git a/tutorial3/peg.mol b/tutorial3/peg.mol index 6a11833..250241e 100644 --- a/tutorial3/peg.mol +++ b/tutorial3/peg.mol @@ -1,7 +1,8 @@ # LAMMPS Molecule File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # PEG molecule diff --git a/tutorial3/pull-with-tip.lmp b/tutorial3/pull-with-tip.lmp index 718aa11..25aa578 100644 --- a/tutorial3/pull-with-tip.lmp +++ b/tutorial3/pull-with-tip.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials kspace_style pppm 1e-5 diff --git a/tutorial3/pull.lmp b/tutorial3/pull.lmp index 4f0ee45..1938335 100644 --- a/tutorial3/pull.lmp +++ b/tutorial3/pull.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials kspace_style pppm 1e-5 diff --git a/tutorial3/water.lmp b/tutorial3/water.lmp index 398fcc1..5ae582c 100644 --- a/tutorial3/water.lmp +++ b/tutorial3/water.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units real diff --git a/tutorial3/water.mol b/tutorial3/water.mol index e3c1945..c3bd56c 100644 --- a/tutorial3/water.mol +++ b/tutorial3/water.mol @@ -1,7 +1,8 @@ # LAMMPS Molecule File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials 3 atoms diff --git a/tutorial4/create.lmp b/tutorial4/create.lmp index a64f977..42482fa 100644 --- a/tutorial4/create.lmp +++ b/tutorial4/create.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials boundary p p f diff --git a/tutorial4/equilibrate.lmp b/tutorial4/equilibrate.lmp index 1b680bf..daa0b53 100644 --- a/tutorial4/equilibrate.lmp +++ b/tutorial4/equilibrate.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials boundary p p f diff --git a/tutorial4/groups.inc b/tutorial4/groups.inc index 03536b0..3620881 100644 --- a/tutorial4/groups.inc +++ b/tutorial4/groups.inc @@ -1,7 +1,8 @@ # LAMMPS Include File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials group H2O type O H diff --git a/tutorial4/parameters.inc b/tutorial4/parameters.inc index 0b32291..d360bc1 100644 --- a/tutorial4/parameters.inc +++ b/tutorial4/parameters.inc @@ -1,7 +1,8 @@ # LAMMPS Include File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials mass O 15.9994 diff --git a/tutorial4/shearing.lmp b/tutorial4/shearing.lmp index 511260f..cbccfba 100644 --- a/tutorial4/shearing.lmp +++ b/tutorial4/shearing.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials boundary p p f diff --git a/tutorial4/water.mol b/tutorial4/water.mol index e02664c..654f36e 100644 --- a/tutorial4/water.mol +++ b/tutorial4/water.mol @@ -1,7 +1,8 @@ # LAMMPS Molecule File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials 3 atoms diff --git a/tutorial5/decorate.lmp b/tutorial5/decorate.lmp index 94a7882..36fefa3 100644 --- a/tutorial5/decorate.lmp +++ b/tutorial5/decorate.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units real diff --git a/tutorial5/deform.lmp b/tutorial5/deform.lmp index a7e34b4..3a0825a 100644 --- a/tutorial5/deform.lmp +++ b/tutorial5/deform.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units real diff --git a/tutorial5/relax.lmp b/tutorial5/relax.lmp index 4609a62..bffb910 100644 --- a/tutorial5/relax.lmp +++ b/tutorial5/relax.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units real diff --git a/tutorial6/H2O.mol b/tutorial6/H2O.mol index 885b2bb..5e0e319 100644 --- a/tutorial6/H2O.mol +++ b/tutorial6/H2O.mol @@ -1,7 +1,8 @@ # LAMMPS Molecule File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials 3 atoms diff --git a/tutorial6/cracking.lmp b/tutorial6/cracking.lmp index a535a8d..0c3db7f 100644 --- a/tutorial6/cracking.lmp +++ b/tutorial6/cracking.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units metal diff --git a/tutorial6/gcmc.lmp b/tutorial6/gcmc.lmp index c54d1e9..9e8a2be 100644 --- a/tutorial6/gcmc.lmp +++ b/tutorial6/gcmc.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units metal diff --git a/tutorial6/generate.lmp b/tutorial6/generate.lmp index 880c974..1088005 100644 --- a/tutorial6/generate.lmp +++ b/tutorial6/generate.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials units metal diff --git a/tutorial7/free-sampling.lmp b/tutorial7/free-sampling.lmp index 44dd434..8dc03fc 100644 --- a/tutorial7/free-sampling.lmp +++ b/tutorial7/free-sampling.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials variable sigma equal 3.405 diff --git a/tutorial7/umbrella-sampling.lmp b/tutorial7/umbrella-sampling.lmp index 0851fe8..e75609d 100644 --- a/tutorial7/umbrella-sampling.lmp +++ b/tutorial7/umbrella-sampling.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials variable sigma equal 3.405 diff --git a/tutorial8/mixing.lmp b/tutorial8/mixing.lmp index 01aa507..c876801 100644 --- a/tutorial8/mixing.lmp +++ b/tutorial8/mixing.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # inserting styrene molecules around a periodic CNT diff --git a/tutorial8/polymerize.lmp b/tutorial8/polymerize.lmp index 258dac3..4fb6953 100644 --- a/tutorial8/polymerize.lmp +++ b/tutorial8/polymerize.lmp @@ -1,7 +1,8 @@ # LAMMPS Input File # Licensed under CC BY 4.0 +# A Set of Tutorials for the LAMMPS Simulation Package (LiveCoMS, 2025) # By Simon Gravelle, Cecilia M. S. Alvares, Jacob R. Gissinger, and Axel Kohlmeyer -# Please cite doi.org/10.48550/arXiv.2503.14020 +# Please cite doi.org/10.33011/livecoms.6.1.3037 # Find more on GitHub: https://github.com/lammpstutorials # polymerization of PS-CNT composite using REACTER