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autoadsorbate
Chemical intuition for surface science in a package.
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6
Last push
3mo ago
Recent commits
Latest commits.
changed annotation of evaluate_binding to be compatible with earlier python versions
5b09eeb
tiagojoaog
3mo ago
added multiplier for natural cutoffs, increasing modularity of get_connectivity and evaluate_binding functions
d3b3599
tiagojoaog
3mo ago
Atoms input (#14)
9628a3b
tiagojoaog
3mo ago
Bump fonttools from 4.57.0 to 4.60.2 (#12)
3e2171a
dependabot[bot]
4mo ago
add parallelization on get_populated_site (#9)
4175015
Auguste TETENOIRE
4mo ago
feat: add SOAP-based symmetry-equivalent site detection (#10)
2d2da43
Sandip De
4mo ago
version bump, prep for pip
96680eb
efako
5mo ago
slab mode decupling site_df detection from manifold face/vert ops (non-ort slabs)
e24a51e
efako
5mo ago
Top contributors
Builders behind this project.
efako
78 commits
augtetenoire
4 commits
sandipde
3 commits
tiagojoaog
3 commits
PythonFZ
1 commits
dependabot[bot]
1 commits