StructureFinder

Repo for geometry optimization, transition states, etc. Much of this repo will be Python based, providing interfaces to geomeTRIC, pyBerny, ASE NEB, etc.

Name		Name	Last commit message	Last commit date
Latest commit History 94 Commits
.github/workflows		.github/workflows
cmake		cmake
docs		docs
src/python/structurefinder		src/python/structurefinder
tests/python/unit_tests		tests/python/unit_tests
.gitignore		.gitignore
.licenserc.yaml		.licenserc.yaml
CMakeLists.txt		CMakeLists.txt
README.md		README.md
version.txt		version.txt

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