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cli/context.py
cli/io.py
cli/resource.py
cli/handlers/__init__.py
cli/handlers/_shared.py
cli/handlers/adsorbates.py
cli/handlers/aliases.py
cli/handlers/build.py
cli/handlers/explain.py
cli/handlers/init.py
cli/handlers/lattice.py
cli/handlers/motifs.py
cli/handlers/mp.py
cli/handlers/perturb.py
cli/handlers/recipes.py
cli/handlers/runs.py
cli/handlers/shortcuts.py
cli/handlers/sites.py
cli/handlers/smart.py
cli/handlers/status.py
cli/handlers/structures.py
cli/handlers/vasp_inputs.py
cli/handlers/verify.py
material_runtime/README.md
material_runtime/__init__.py
material_runtime/adsorption.py
material_runtime/builders.py
material_runtime/core.py
material_runtime/formatting.py
material_runtime/graph.py
material_runtime/lattice.py
material_runtime/mp.py
material_runtime/paper.py
material_runtime/perturb.py
material_runtime/recipe.py
material_runtime/recipe_exec.py
material_runtime/render.py
material_runtime/rules.py
material_runtime/schema.py
material_runtime/sites.py
material_runtime/transforms.py
material_runtime/vasp_inputs.py
material_runtime/workspace.py
material_runtime/examples/feo6-rules.yaml
material_runtime/examples/mno6-rules.yaml
material_runtime/examples/profiles/escience-structure-construction.yaml
material_runtime/examples/profiles/li-2024-fauc-mno6.yaml
material_runtime/examples/recipes/2008-prl-pt111-o2-honest-v3.recipe.yaml
material_runtime/examples/recipes/2008-prl-pt111-o2-honest-v4.recipe.yaml
material_runtime/examples/recipes/2008-prl-pt111-o2-honest.recipe.yaml
material_runtime/examples/recipes/2008-prl-pt111-o2-real.recipe.yaml
material_runtime/examples/recipes/2008-prl-pt111-o2.recipe.yaml
material_runtime/examples/recipes/2013-prl-pd100-co-real.recipe.yaml
material_runtime/examples/recipes/auto/1994-prl-high-dimensional-quantum-dynamics-adsorption.recipe.yaml
material_runtime/examples/recipes/auto/1998-prl-highly-site-speci-adsorption-vicinal.recipe.yaml
material_runtime/examples/recipes/auto/2004-prl-phys-rev-lett-accepted.recipe.yaml
material_runtime/examples/recipes/auto/2005-prb-adsorption-di-usion-pt-au.recipe.yaml
material_runtime/examples/recipes/auto/2008-prl-near-neutrality-oxygen-molecule-adsorbed.recipe.yaml
material_runtime/examples/recipes/auto/2009-prb-density-functional-theory-study-fe.recipe.yaml
material_runtime/examples/recipes/auto/2010-prb-first-principles-study-graphene-edge.recipe.yaml
material_runtime/examples/recipes/auto/2011-prb-ideal-defective-gold-promoted-rutile.recipe.yaml
material_runtime/examples/recipes/auto/2011-prb-theoretical-study-corundum-ideal-gate.recipe.yaml
material_runtime/examples/recipes/auto/2011-prl-co-oxidation-facilitated-robust-surface.recipe.yaml
material_runtime/examples/recipes/auto/2011-prl-stable-nontrivial-z2-topology-ultrathin.recipe.yaml
material_runtime/examples/recipes/auto/2012-jacs-autocatalytic-cooperatively-stabilized.recipe.yaml
material_runtime/examples/recipes/auto/2012-prb-tuning-two-dimensional-electron-gas.recipe.yaml
material_runtime/examples/recipes/auto/2013-natcomms-molecular-switches-benzene-derivatives.recipe.yaml
material_runtime/examples/recipes/auto/2013-prb-electronic-structures-doped-graphene-native.recipe.yaml
material_runtime/examples/recipes/auto/2013-prl-situ-ray-photoelectron-spectroscopy-model.recipe.yaml
material_runtime/examples/recipes/auto/2014-chemmater-water-reaction-mechanism-metal-organic.recipe.yaml
material_runtime/examples/recipes/auto/2014-chemsci-restructuring-hydrogen-evolution-pt.recipe.yaml
material_runtime/examples/recipes/auto/2014-science-subsurface-cation-vacancy-stabilization-magnetite.recipe.yaml
material_runtime/examples/recipes/auto/2015-natcomms-atomic-species-identi-cation-101.recipe.yaml
material_runtime/examples/recipes/auto/2015-natcomms-chirality-transfer-gold-nanocluster.recipe.yaml
material_runtime/examples/recipes/auto/2015-natcomms-dynamic-formation-single-atom-catalytic.recipe.yaml
material_runtime/examples/recipes/auto/2015-natcomms-palladium-platinum-core-shell-icosahedra.recipe.yaml
material_runtime/examples/recipes/auto/2015-natcomms-understanding-catalysis-multiphasic.recipe.yaml
material_runtime/examples/recipes/auto/2015-prl-candidate-source-flux-noise-squids.recipe.yaml
material_runtime/examples/recipes/auto/2016-chemsci-well-structured-bimetallic-surface-capable.recipe.yaml
material_runtime/examples/recipes/auto/2016-natcomms-engineering-surface-atomic-structure.recipe.yaml
material_runtime/examples/recipes/auto/2016-natcomms-nickel-supported-nitrogen-doped-carbon.recipe.yaml
material_runtime/examples/recipes/auto/2017-acscatal-structure-coverage-sensitive-mechanism-no.recipe.yaml
material_runtime/examples/recipes/auto/2017-chemsci-electrocatalytic-synthesis-ammonia-surface.recipe.yaml
material_runtime/examples/recipes/auto/2017-natcomms-address-surface-reaction-network-complexity.recipe.yaml
material_runtime/examples/recipes/auto/2017-natcomms-multiscale-structural-electronic-control.recipe.yaml
material_runtime/examples/recipes/auto/2017-natcomms-situ-dynamic-tracking-heterogeneous.recipe.yaml
material_runtime/examples/recipes/auto/2017-natcomms-understanding-trends-electrochemical.recipe.yaml
material_runtime/examples/recipes/auto/2017-npjcompmat-high-throughput-framework-determining-adsorption.recipe.yaml
material_runtime/examples/recipes/auto/2018-acscatal-intermetallic-hcp-ptbi-fcc-pt.recipe.yaml
material_runtime/examples/recipes/auto/2018-acscatal-quantifying-con-dence-dft-predicted.recipe.yaml
material_runtime/examples/recipes/auto/2018-acscatal-this-self-archived-version-original.recipe.yaml
material_runtime/examples/recipes/auto/2018-chemsci-accelerated-active-phase-transformation-nio.recipe.yaml
material_runtime/examples/recipes/auto/2018-natcomms-defect-enriched-iron-uoride-oxide.recipe.yaml
material_runtime/examples/recipes/auto/2018-natcomms-heterogeneous-fe3-single-cluster-catalyst.recipe.yaml
material_runtime/examples/recipes/auto/2018-natcomms-inducing-skyrmions-ultrathin-fe-lms.recipe.yaml
material_runtime/examples/recipes/auto/2018-natcomms-uence-atomic-site-speci-strain.recipe.yaml
material_runtime/examples/recipes/auto/2018-natcomms-understanding-adsorption-process-zif.recipe.yaml
material_runtime/examples/recipes/auto/2019-acscatal-active-oxygen-species-promoted-catalytic.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-controlled-release-hydrogen-isotope-compounds.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-isolating-contiguous-pt-atoms-forming.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-over-56-55-faradaic-ef.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-overall-electrochemical-splitting-water.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-reactivity-shape-controlled-crystals.recipe.yaml
material_runtime/examples/recipes/auto/2019-natcomms-statistical-learning-goes-beyond-thed.recipe.yaml
material_runtime/examples/recipes/auto/2019-npjcompmat-enhancing-hydrogen-evolution-basal-plane.recipe.yaml
material_runtime/examples/recipes/auto/2019-prl-interplay-between-adsorbates-polarons-co.recipe.yaml
material_runtime/examples/recipes/auto/2020-acsami-this-may-be-author-version.recipe.yaml
material_runtime/examples/recipes/auto/2020-acscatal-engineering-three-dimensional-3d-out.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-atomically-dispersed-lewis-acid-sites.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-bayesian-learning-chemisorption-bridging.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-carbon-doping-switching-hydrogen.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-double-layer-charging-driven-carbon.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-heterophase-fcc-2h-fcc-gold.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-metal-organic-frameworks-kinetic-modulators.recipe.yaml
material_runtime/examples/recipes/auto/2020-natcomms-single-crystalline-quaternary-sul-de.recipe.yaml
material_runtime/examples/recipes/auto/2020-npjcompmat-bayesian-framework-adsorption-energy-prediction.recipe.yaml
material_runtime/examples/recipes/auto/2020-npjcompmat-graph-theory-approach-determine-con.recipe.yaml
material_runtime/examples/recipes/auto/2021-advfunctmat-oxygen-incorporated-nimop-nanotube-arrays.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-accelerated-discovery-superoxide-dismutase.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-adsorbate-chemical-environment-based.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-defect-driven-selective-metal-oxidation.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-fast-operando-spectroscopy-tracking-situ.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-highly-ef-cient-ethylene-production.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-isolated-copper-tin-atomic-interfaces.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-machine-learned-features-density-states.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-nature-active-sites-carbon-dioxide.recipe.yaml
material_runtime/examples/recipes/auto/2021-natcomms-unique-structure-active-platinum-bismuth.recipe.yaml
material_runtime/examples/recipes/auto/2021-npjcompmat-accurate-simulation-surfaces-interfaces-ten.recipe.yaml
material_runtime/examples/recipes/auto/2021-npjcompmat-computational-screening-study-double-transition.recipe.yaml
material_runtime/examples/recipes/auto/2022-natchem-en-electron-count-rule-binding.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-ab-initio-mechanism-revealing-tricalcium.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-interfacial-con-ned-coordination-single.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-interstitial-boron-triggered-electron-de.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-nuclear-quantum-effects-zeolite-proton.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-plane-strain-engineering-ultrathin-noble.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-porous-organic-polycarbene-nanotrap.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-pseudo-adsorption-long-range-redox.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-revealing-role-double-layer-micro.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-surfactant-free-interfacial-growth.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcomms-understanding-complementarities-surface.recipe.yaml
material_runtime/examples/recipes/auto/2022-natcompsci-fast-evaluation-adsorption-energy.recipe.yaml
material_runtime/examples/recipes/auto/2022-natenergy-https-doi-org-10-1038.recipe.yaml
material_runtime/examples/recipes/auto/2022-npjcompmat-electronic-structure-factors-importance-adsorbate.recipe.yaml
material_runtime/examples/recipes/auto/2023-acscatal-sc-sc-sc-sc-sc.recipe.yaml
material_runtime/examples/recipes/auto/2023-advfunctmat-heteroatom-bonded-scheme-channels-modulated.recipe.yaml
material_runtime/examples/recipes/auto/2023-jacs-hal-id-hal-04280653.recipe.yaml
material_runtime/examples/recipes/auto/2023-natcomms-inhibition-defect-induced.recipe.yaml
material_runtime/examples/recipes/auto/2023-npjcompmat-machine-learning-driven-global-optimization.recipe.yaml
material_runtime/examples/recipes/auto/2024-nanomicrolett-vol-0123456789.recipe.yaml
material_runtime/examples/recipes/auto/2024-natcomms-electronic-descriptors-designing-high.recipe.yaml
material_runtime/examples/recipes/auto/2024-natcomms-facilitating-alkaline-hydrogen-evolution.recipe.yaml
material_runtime/examples/recipes/auto/2024-natcomms-surface-hydroxylated-single-atom-catalyst.recipe.yaml
material_runtime/examples/recipes/auto/_index.yaml
material_runtime/examples/recipes/auto-real/1994-prl-high-dimensional-quantum-dynamics-adsorption.recipe.yaml
material_runtime/examples/recipes/auto-real/1998-prl-highly-site-speci-adsorption-vicinal.recipe.yaml
material_runtime/examples/recipes/auto-real/2004-prl-phys-rev-lett-accepted.recipe.yaml
material_runtime/examples/recipes/auto-real/2005-prb-adsorption-di-usion-pt-au.recipe.yaml
material_runtime/examples/recipes/auto-real/2008-prl-near-neutrality-oxygen-molecule-adsorbed.recipe.yaml
material_runtime/examples/recipes/auto-real/2009-prb-density-functional-theory-study-fe.recipe.yaml
material_runtime/examples/recipes/auto-real/2010-prb-first-principles-study-graphene-edge.recipe.yaml
material_runtime/examples/recipes/auto-real/2011-prb-ideal-defective-gold-promoted-rutile.recipe.yaml
material_runtime/examples/recipes/auto-real/2011-prb-theoretical-study-corundum-ideal-gate.recipe.yaml
material_runtime/examples/recipes/auto-real/2011-prl-co-oxidation-facilitated-robust-surface.recipe.yaml
material_runtime/examples/recipes/auto-real/2011-prl-stable-nontrivial-z2-topology-ultrathin.recipe.yaml
material_runtime/examples/recipes/auto-real/2012-jacs-autocatalytic-cooperatively-stabilized.recipe.yaml
material_runtime/examples/recipes/auto-real/2012-prb-tuning-two-dimensional-electron-gas.recipe.yaml
material_runtime/examples/recipes/auto-real/2013-natcomms-molecular-switches-benzene-derivatives.recipe.yaml
material_runtime/examples/recipes/auto-real/2013-prb-electronic-structures-doped-graphene-native.recipe.yaml
material_runtime/examples/recipes/auto-real/2013-prl-situ-ray-photoelectron-spectroscopy-model.recipe.yaml
material_runtime/examples/recipes/auto-real/2014-chemmater-water-reaction-mechanism-metal-organic.recipe.yaml
material_runtime/examples/recipes/auto-real/2014-chemsci-restructuring-hydrogen-evolution-pt.recipe.yaml
material_runtime/examples/recipes/auto-real/2014-science-subsurface-cation-vacancy-stabilization-magnetite.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-natcomms-atomic-species-identi-cation-101.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-natcomms-chirality-transfer-gold-nanocluster.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-natcomms-dynamic-formation-single-atom-catalytic.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-natcomms-palladium-platinum-core-shell-icosahedra.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-natcomms-understanding-catalysis-multiphasic.recipe.yaml
material_runtime/examples/recipes/auto-real/2015-prl-candidate-source-flux-noise-squids.recipe.yaml
material_runtime/examples/recipes/auto-real/2016-chemsci-well-structured-bimetallic-surface-capable.recipe.yaml
material_runtime/examples/recipes/auto-real/2016-natcomms-engineering-surface-atomic-structure.recipe.yaml
material_runtime/examples/recipes/auto-real/2016-natcomms-nickel-supported-nitrogen-doped-carbon.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-acscatal-structure-coverage-sensitive-mechanism-no.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-chemsci-electrocatalytic-synthesis-ammonia-surface.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-natcomms-address-surface-reaction-network-complexity.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-natcomms-multiscale-structural-electronic-control.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-natcomms-situ-dynamic-tracking-heterogeneous.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-natcomms-understanding-trends-electrochemical.recipe.yaml
material_runtime/examples/recipes/auto-real/2017-npjcompmat-high-throughput-framework-determining-adsorption.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-acscatal-intermetallic-hcp-ptbi-fcc-pt.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-acscatal-quantifying-con-dence-dft-predicted.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-acscatal-this-self-archived-version-original.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-chemsci-accelerated-active-phase-transformation-nio.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-natcomms-defect-enriched-iron-uoride-oxide.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-natcomms-heterogeneous-fe3-single-cluster-catalyst.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-natcomms-inducing-skyrmions-ultrathin-fe-lms.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-natcomms-uence-atomic-site-speci-strain.recipe.yaml
material_runtime/examples/recipes/auto-real/2018-natcomms-understanding-adsorption-process-zif.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-acscatal-active-oxygen-species-promoted-catalytic.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-controlled-release-hydrogen-isotope-compounds.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-isolating-contiguous-pt-atoms-forming.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-over-56-55-faradaic-ef.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-overall-electrochemical-splitting-water.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-reactivity-shape-controlled-crystals.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-natcomms-statistical-learning-goes-beyond-thed.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-npjcompmat-enhancing-hydrogen-evolution-basal-plane.recipe.yaml
material_runtime/examples/recipes/auto-real/2019-prl-interplay-between-adsorbates-polarons-co.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-acsami-this-may-be-author-version.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-acscatal-engineering-three-dimensional-3d-out.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-atomically-dispersed-lewis-acid-sites.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-bayesian-learning-chemisorption-bridging.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-carbon-doping-switching-hydrogen.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-double-layer-charging-driven-carbon.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-heterophase-fcc-2h-fcc-gold.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-metal-organic-frameworks-kinetic-modulators.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-natcomms-single-crystalline-quaternary-sul-de.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-npjcompmat-bayesian-framework-adsorption-energy-prediction.recipe.yaml
material_runtime/examples/recipes/auto-real/2020-npjcompmat-graph-theory-approach-determine-con.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-advfunctmat-oxygen-incorporated-nimop-nanotube-arrays.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-accelerated-discovery-superoxide-dismutase.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-adsorbate-chemical-environment-based.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-defect-driven-selective-metal-oxidation.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-fast-operando-spectroscopy-tracking-situ.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-highly-ef-cient-ethylene-production.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-isolated-copper-tin-atomic-interfaces.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-machine-learned-features-density-states.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-nature-active-sites-carbon-dioxide.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-natcomms-unique-structure-active-platinum-bismuth.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-npjcompmat-accurate-simulation-surfaces-interfaces-ten.recipe.yaml
material_runtime/examples/recipes/auto-real/2021-npjcompmat-computational-screening-study-double-transition.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natchem-en-electron-count-rule-binding.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-ab-initio-mechanism-revealing-tricalcium.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-interfacial-con-ned-coordination-single.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-interstitial-boron-triggered-electron-de.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-nuclear-quantum-effects-zeolite-proton.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-plane-strain-engineering-ultrathin-noble.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-porous-organic-polycarbene-nanotrap.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-pseudo-adsorption-long-range-redox.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-revealing-role-double-layer-micro.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-surfactant-free-interfacial-growth.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcomms-understanding-complementarities-surface.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natcompsci-fast-evaluation-adsorption-energy.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-natenergy-https-doi-org-10-1038.recipe.yaml
material_runtime/examples/recipes/auto-real/2022-npjcompmat-electronic-structure-factors-importance-adsorbate.recipe.yaml
material_runtime/examples/recipes/auto-real/2023-acscatal-sc-sc-sc-sc-sc.recipe.yaml
material_runtime/examples/recipes/auto-real/2023-advfunctmat-heteroatom-bonded-scheme-channels-modulated.recipe.yaml
material_runtime/examples/recipes/auto-real/2023-jacs-hal-id-hal-04280653.recipe.yaml
material_runtime/examples/recipes/auto-real/2023-natcomms-inhibition-defect-induced.recipe.yaml
material_runtime/examples/recipes/auto-real/2023-npjcompmat-machine-learning-driven-global-optimization.recipe.yaml
material_runtime/examples/recipes/auto-real/2024-nanomicrolett-vol-0123456789.recipe.yaml
material_runtime/examples/recipes/auto-real/2024-natcomms-electronic-descriptors-designing-high.recipe.yaml
material_runtime/examples/recipes/auto-real/2024-natcomms-facilitating-alkaline-hydrogen-evolution.recipe.yaml
material_runtime/examples/recipes/auto-real/2024-natcomms-surface-hydroxylated-single-atom-catalyst.recipe.yaml
material_runtime/examples/recipes/auto-real/_upgrade-index.yaml
material_runtime/examples/recipes/auto-real-v3/1994-prl-high-dimensional-quantum-dynamics-adsorption.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/1998-prl-highly-site-speci-adsorption-vicinal.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2004-prl-phys-rev-lett-accepted.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2005-prb-adsorption-di-usion-pt-au.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2008-prl-near-neutrality-oxygen-molecule-adsorbed.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2009-prb-density-functional-theory-study-fe.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2010-prb-first-principles-study-graphene-edge.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2011-prb-ideal-defective-gold-promoted-rutile.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2011-prb-theoretical-study-corundum-ideal-gate.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2011-prl-co-oxidation-facilitated-robust-surface.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2011-prl-stable-nontrivial-z2-topology-ultrathin.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2012-jacs-autocatalytic-cooperatively-stabilized.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2012-prb-tuning-two-dimensional-electron-gas.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2013-natcomms-molecular-switches-benzene-derivatives.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2013-prb-electronic-structures-doped-graphene-native.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2013-prl-situ-ray-photoelectron-spectroscopy-model.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2014-chemmater-water-reaction-mechanism-metal-organic.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2014-chemsci-restructuring-hydrogen-evolution-pt.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2014-science-subsurface-cation-vacancy-stabilization-magnetite.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-natcomms-atomic-species-identi-cation-101.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-natcomms-chirality-transfer-gold-nanocluster.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-natcomms-dynamic-formation-single-atom-catalytic.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-natcomms-palladium-platinum-core-shell-icosahedra.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-natcomms-understanding-catalysis-multiphasic.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2015-prl-candidate-source-flux-noise-squids.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2016-chemsci-well-structured-bimetallic-surface-capable.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2016-natcomms-engineering-surface-atomic-structure.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2016-natcomms-nickel-supported-nitrogen-doped-carbon.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-acscatal-structure-coverage-sensitive-mechanism-no.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-chemsci-electrocatalytic-synthesis-ammonia-surface.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-natcomms-address-surface-reaction-network-complexity.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-natcomms-multiscale-structural-electronic-control.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-natcomms-situ-dynamic-tracking-heterogeneous.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-natcomms-understanding-trends-electrochemical.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2017-npjcompmat-high-throughput-framework-determining-adsorption.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-acscatal-intermetallic-hcp-ptbi-fcc-pt.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-acscatal-quantifying-con-dence-dft-predicted.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-acscatal-this-self-archived-version-original.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-chemsci-accelerated-active-phase-transformation-nio.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-natcomms-defect-enriched-iron-uoride-oxide.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-natcomms-heterogeneous-fe3-single-cluster-catalyst.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-natcomms-inducing-skyrmions-ultrathin-fe-lms.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-natcomms-uence-atomic-site-speci-strain.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2018-natcomms-understanding-adsorption-process-zif.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-acscatal-active-oxygen-species-promoted-catalytic.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-controlled-release-hydrogen-isotope-compounds.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-isolating-contiguous-pt-atoms-forming.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-over-56-55-faradaic-ef.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-overall-electrochemical-splitting-water.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-reactivity-shape-controlled-crystals.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-natcomms-statistical-learning-goes-beyond-thed.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-npjcompmat-enhancing-hydrogen-evolution-basal-plane.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2019-prl-interplay-between-adsorbates-polarons-co.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-acsami-this-may-be-author-version.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-acscatal-engineering-three-dimensional-3d-out.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-atomically-dispersed-lewis-acid-sites.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-bayesian-learning-chemisorption-bridging.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-carbon-doping-switching-hydrogen.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-double-layer-charging-driven-carbon.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-heterophase-fcc-2h-fcc-gold.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-metal-organic-frameworks-kinetic-modulators.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-natcomms-single-crystalline-quaternary-sul-de.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-npjcompmat-bayesian-framework-adsorption-energy-prediction.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2020-npjcompmat-graph-theory-approach-determine-con.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-advfunctmat-oxygen-incorporated-nimop-nanotube-arrays.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-accelerated-discovery-superoxide-dismutase.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-adsorbate-chemical-environment-based.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-defect-driven-selective-metal-oxidation.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-fast-operando-spectroscopy-tracking-situ.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-highly-ef-cient-ethylene-production.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-isolated-copper-tin-atomic-interfaces.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-machine-learned-features-density-states.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-nature-active-sites-carbon-dioxide.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-natcomms-unique-structure-active-platinum-bismuth.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-npjcompmat-accurate-simulation-surfaces-interfaces-ten.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2021-npjcompmat-computational-screening-study-double-transition.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natchem-en-electron-count-rule-binding.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-ab-initio-mechanism-revealing-tricalcium.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-interfacial-con-ned-coordination-single.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-interstitial-boron-triggered-electron-de.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-nuclear-quantum-effects-zeolite-proton.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-plane-strain-engineering-ultrathin-noble.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-porous-organic-polycarbene-nanotrap.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-pseudo-adsorption-long-range-redox.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-revealing-role-double-layer-micro.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-surfactant-free-interfacial-growth.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcomms-understanding-complementarities-surface.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natcompsci-fast-evaluation-adsorption-energy.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-natenergy-https-doi-org-10-1038.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2022-npjcompmat-electronic-structure-factors-importance-adsorbate.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2023-acscatal-sc-sc-sc-sc-sc.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2023-advfunctmat-heteroatom-bonded-scheme-channels-modulated.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2023-jacs-hal-id-hal-04280653.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2023-natcomms-inhibition-defect-induced.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2023-npjcompmat-machine-learning-driven-global-optimization.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2024-nanomicrolett-vol-0123456789.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2024-natcomms-electronic-descriptors-designing-high.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2024-natcomms-facilitating-alkaline-hydrogen-evolution.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/2024-natcomms-surface-hydroxylated-single-atom-catalyst.recipe.yaml
material_runtime/examples/recipes/auto-real-v3/_upgrade-index.yaml
material_runtime/examples/recipes/faithful/2008-prl-pt111-o2-faithful.recipe.yaml
material_runtime/examples/recipes/faithful/2013-prl-pd100-co-oxidation-faithful.recipe.yaml
material_runtime/examples/recipes/faithful/2014-chemsci-pt-her-faithful.recipe.yaml
material_runtime/examples/recipes/faithful/2015-natcomms-pdpt-core-shell-faithful.recipe.yaml
material_runtime/examples/recipes/faithful/2016-chemsci-rh-bimetallic-faithful.recipe.yaml
nku_vasp_cli.egg-info/PKG-INFO
nku_vasp_cli.egg-info/SOURCES.txt
nku_vasp_cli.egg-info/dependency_links.txt
nku_vasp_cli.egg-info/entry_points.txt
nku_vasp_cli.egg-info/requires.txt
nku_vasp_cli.egg-info/top_level.txt