.coveragerc | |
|
|
.github/workflows/ci.yml | |
|
|
.github/workflows/release.yml | |
|
|
.gitignore | |
|
|
.readthedocs.yml | |
|
|
CITATION.cff | |
|
|
CODE_OF_CONDUCT.md | |
|
|
CONTRIBUTING.md | |
|
|
LICENSE | |
|
|
MANIFEST.in | |
|
|
README.md | |
|
|
docs/Makefile | |
|
|
docs/source/_static/base.data | |
|
|
docs/source/_static/cov.npz | |
|
|
docs/source/_static/custom.css | |
|
|
docs/source/_static/displacements.npz | |
|
|
docs/source/_static/dump.dcd | |
|
|
docs/source/_static/example_dark.png | |
|
|
docs/source/_static/example_light.png | |
|
|
docs/source/_static/logo_dark.png | |
|
|
docs/source/_static/logo_light.png | |
|
|
docs/source/_static/msd.txt | |
|
|
docs/source/_static/msd_std.txt | |
|
|
docs/source/_static/poster.pdf | |
|
|
docs/source/_static/schematic_dark.png | |
|
|
docs/source/_static/schematic_dark.svg | |
|
|
docs/source/_static/schematic_light.png | |
|
|
docs/source/_static/schematic_light.svg | |
|
|
docs/source/_static/traj_500.gro | |
|
|
docs/source/_static/traj_500.xtc | |
|
|
docs/source/_static/traj_600.gro | |
|
|
docs/source/_static/traj_600.xtc | |
|
|
docs/source/_static/traj_700.gro | |
|
|
docs/source/_static/traj_700.xtc | |
|
|
docs/source/_static/traj_800.gro | |
|
|
docs/source/_static/traj_800.xtc | |
|
|
docs/source/analyze.rst | |
|
|
docs/source/arrhenius.rst | |
|
|
docs/source/arrhenius_t.ipynb | |
|
|
docs/source/ase_COG.ipynb | |
|
|
docs/source/conf.py | 57 | A 0 mins |
|
docs/source/diffusion.rst | |
|
|
docs/source/ethene_zeo.HISTORY | |
|
|
docs/source/ethene_zeo_HISTORY.gz | |
|
|
docs/source/example_XDATCAR.gz | |
|
|
docs/source/faq.md | |
|
|
docs/source/index.md | |
|
|
docs/source/installation.md | |
|
|
docs/source/memory_limit.md | |
|
|
docs/source/methodology.ipynb | |
|
|