From cd87dc908c73c463bcf1a7cacd813d9eb539c5b8 Mon Sep 17 00:00:00 2001 From: Anders Hafreager Date: Sat, 25 Jul 2026 20:50:37 +0200 Subject: [PATCH] Feature a more visually varied set of starter examples MIME-Version: 1.0 Content-Type: text/plain; charset=UTF-8 Content-Transfer-Encoding: 8bit The "Start from an example" cards on the home screen show the first four entries of examples.json. The prior lineup (Diffusion, Large diffusion, 2D MSD, 2D VACF) was four near-identical diffusion visuals. Reorder so the featured four are Diffusion, 2D diffusion coefficient MSD, SiC nanoparticle, and RDX explosive. Pure reorder — no example objects changed. Co-Authored-By: Claude Opus 4.8 (1M context) --- public/examples/examples.json | 166 +++++++++++++++++----------------- 1 file changed, 83 insertions(+), 83 deletions(-) diff --git a/public/examples/examples.json b/public/examples/examples.json index 33ec712f..f9a4ef50 100644 --- a/public/examples/examples.json +++ b/public/examples/examples.json @@ -21,26 +21,6 @@ } ] }, - { - "id": "large_diffusion", - "title": "Large diffusion", - "description": "A large version of the diffusion example (~250,000 atoms) that runs multithreaded with KOKKOS. The white atoms have mass 1 while the red atoms have mass 4.", - "analysisDescription": "# About this simulation\nWe simulate two Lennard Jones particle types with masses 1.0 and 4.0. The diffusion coefficient [https://en.wikipedia.org/wiki/Mass_diffusivity](scales like) D$\\propto 1/\\sqrt{m}$, so we should see a factor 2 higher diffusion coefficient for the small molecules.", - "imageUrl": "diffusion/large_diffusion/large_diffusion.png", - "inputScript": "large_diffusion.in", - "keywords": [ - "lennard jones", - "diffusion", - "kokkos", - "large" - ], - "files": [ - { - "fileName": "large_diffusion.in", - "url": "diffusion/large_diffusion/large_diffusion.in" - } - ] - }, { "id": "2d-msd-diffusion", "title": "2D diffusion coefficient MSD", @@ -65,6 +45,89 @@ } ] }, + { + "id": "sic_nanoparticle", + "title": "SiC nanoparticle", + "description": "A silicon carbide (SiC) nano particle in a carbon gas. The whole system is neutral, but initially, the particle has net charge. In this simulation, you can observe how the carbon gas attaches to the surface. The system cools down from 2200 K to 500 K.", + "imageUrl": "sic/nanoparticle/nanoparticle.png", + "inputScript": "nanoparticle.in", + "keywords": [ + "vashishta", + "sic", + "nanoparticle" + ], + "files": [ + { + "fileName": "nanoparticle.in", + "url": "sic/nanoparticle/nanoparticle.in" + }, + { + "fileName": "make_stoichiometric.in", + "url": "sic/nanoparticle/make_stoichiometric.in" + }, + { + "fileName": "SiC.vashishta", + "url": "sic/nanoparticle/SiC.vashishta" + }, + { + "fileName": "siliconcarbide.data", + "url": "sic/nanoparticle/siliconcarbide.data" + } + ] + }, + { + "id": "reax_rdf", + "title": "RDX explosive", + "description": "RDX is an organic compound normally used as an explosive, especially in world war II.", + "imageUrl": "reaxff/RDX/RDX.png", + "inputScript": "RDX.in", + "keywords": [ + "reaxff", + "explosive" + ], + "files": [ + { + "fileName": "lmp_control", + "url": "reaxff/RDX/lmp_control" + }, + { + "fileName": "RDX.in", + "url": "reaxff/RDX/RDX.in" + }, + { + "fileName": "data.RDX", + "url": "reaxff/RDX/data.RDX" + }, + { + "fileName": "ffield.reax.rdx", + "url": "reaxff/RDX/ffield.reax.rdx" + }, + { + "fileName": "param.qeq", + "url": "reaxff/RDX/param.qeq" + } + ] + }, + { + "id": "large_diffusion", + "title": "Large diffusion", + "description": "A large version of the diffusion example (~250,000 atoms) that runs multithreaded with KOKKOS. The white atoms have mass 1 while the red atoms have mass 4.", + "analysisDescription": "# About this simulation\nWe simulate two Lennard Jones particle types with masses 1.0 and 4.0. The diffusion coefficient [https://en.wikipedia.org/wiki/Mass_diffusivity](scales like) D$\\propto 1/\\sqrt{m}$, so we should see a factor 2 higher diffusion coefficient for the small molecules.", + "imageUrl": "diffusion/large_diffusion/large_diffusion.png", + "inputScript": "large_diffusion.in", + "keywords": [ + "lennard jones", + "diffusion", + "kokkos", + "large" + ], + "files": [ + { + "fileName": "large_diffusion.in", + "url": "diffusion/large_diffusion/large_diffusion.in" + } + ] + }, { "id": "2d-vacf-diffusion", "title": "2D diffusion coefficient VACF", @@ -249,36 +312,6 @@ } ] }, - { - "id": "sic_nanoparticle", - "title": "SiC nanoparticle", - "description": "A silicon carbide (SiC) nano particle in a carbon gas. The whole system is neutral, but initially, the particle has net charge. In this simulation, you can observe how the carbon gas attaches to the surface. The system cools down from 2200 K to 500 K.", - "imageUrl": "sic/nanoparticle/nanoparticle.png", - "inputScript": "nanoparticle.in", - "keywords": [ - "vashishta", - "sic", - "nanoparticle" - ], - "files": [ - { - "fileName": "nanoparticle.in", - "url": "sic/nanoparticle/nanoparticle.in" - }, - { - "fileName": "make_stoichiometric.in", - "url": "sic/nanoparticle/make_stoichiometric.in" - }, - { - "fileName": "SiC.vashishta", - "url": "sic/nanoparticle/SiC.vashishta" - }, - { - "fileName": "siliconcarbide.data", - "url": "sic/nanoparticle/siliconcarbide.data" - } - ] - }, { "id": "sic_faceted_nanoparticle", "title": "Faceted SiC nanoparticle", @@ -1268,39 +1301,6 @@ } ] }, - { - "id": "reax_rdf", - "title": "RDX explosive", - "description": "RDX is an organic compound normally used as an explosive, especially in world war II.", - "imageUrl": "reaxff/RDX/RDX.png", - "inputScript": "RDX.in", - "keywords": [ - "reaxff", - "explosive" - ], - "files": [ - { - "fileName": "lmp_control", - "url": "reaxff/RDX/lmp_control" - }, - { - "fileName": "RDX.in", - "url": "reaxff/RDX/RDX.in" - }, - { - "fileName": "data.RDX", - "url": "reaxff/RDX/data.RDX" - }, - { - "fileName": "ffield.reax.rdx", - "url": "reaxff/RDX/ffield.reax.rdx" - }, - { - "fileName": "param.qeq", - "url": "reaxff/RDX/param.qeq" - } - ] - }, { "id": "reax_ssz13", "title": "Zeolite SSZ-13",