.cruft.json
.gitignore
LICENSE
MANIFEST.in
README.md
mkdocs.yml
move_template_files.sh
output_AlCo2S4.json
pyproject.toml
requirements_docs.txt
yarn.lock
.devcontainer/devcontainer.json
.github/dependabot.yml
.github/workflows/actions.yml
.github/workflows/mkdocs-deploy.yml
.github/workflows/publish.yml
.vscode/settings.json
docs/index.md
docs/assets/.gitignore
docs/assets/NEB_data.png
docs/assets/NEB_overview.png
docs/assets/favicon.png
docs/assets/nomad-plugin-logo.png
docs/explanation/explanation.md
docs/how_to/contribute_to_the_documentation.md
docs/how_to/contribute_to_this_plugin.md
docs/how_to/install_this_plugin.md
docs/how_to/use_this_plugin.md
docs/reference/references.md
docs/stylesheets/extra.css
docs/theme/partials/header.html
docs/tutorial/tutorial.md
node_modules/.yarn-integrity
src/nomad_neb_workflows/__init__.py
src/nomad_neb_workflows.egg-info/PKG-INFO
src/nomad_neb_workflows.egg-info/SOURCES.txt
src/nomad_neb_workflows.egg-info/dependency_links.txt
src/nomad_neb_workflows.egg-info/entry_points.txt
src/nomad_neb_workflows.egg-info/requires.txt
src/nomad_neb_workflows.egg-info/top_level.txt
src/nomad_neb_workflows/schema_packages/__init__.py
src/nomad_neb_workflows/schema_packages/neb.py
tests/__init__.py
tests/conftest.py
tests/data/AlCo2S4_uday_gajera/AlCo2S4.zip
tests/data/AlCo2S4_uday_gajera/workflow.archive.yaml
tests/data/AlCo2S4_uday_gajera/workflow_4_gui.archive.yaml
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/INCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/NEB-AlCo2S4.11531937
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/neb.sbatch
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/00-AlCo2S4.11481305
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/CONTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/INCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/KPOINTS
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/POSCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/POTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/POTCAR.stripped
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/00/vasp.sbatch
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/01/CONTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/01/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/01/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/01/POSCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/02/CONTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/02/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/02/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/02/POSCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/03/CONTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/03/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/03/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/03/POSCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/04/CONTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/04/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/04/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/04/POSCAR
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tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/INCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/KPOINTS
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/OSZICAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/OUTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/POSCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/POTCAR
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/POTCAR.stripped
tests/data/AlCo2S4_uday_gajera/AlCo2S4/neb/05/vasp.sbatch
tests/data/NEB_testdata_Julia/neb0.traj
tests/data/NEB_testdata_Julia/neb1.traj
tests/data/NEB_testdata_Julia/neb2.traj
tests/data/NEB_testdata_Julia/neb3.traj
tests/data/NEB_testdata_Julia/neb4.traj
tests/data/NEB_testdata_Julia/neb5.traj
tests/data/NEB_testdata_Julia/neb6.traj
tests/data/NEB_testdata_Julia/neb_jxiao.py.txt
tests/data/NEB_testdata_Julia/workflow1.archive.yaml
tests/data/NEB_testdata_Julia/workflow_4_gui.archive.yaml
tests/schema_packages/test_AlCoO4.py
tests/schema_packages/test_neb.py