Tblite
JSON →Tblite is a lightweight Python interface to the tblite C++ library, providing fast and efficient tight-binding calculations for quantum chemistry and materials science. It allows users to perform energy, force, and other property calculations for molecular systems. The current version is 0.5.0, and it maintains a regular release cadence, with API changes detailed in release notes.
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Resources
packagepypi.org/project/tblite/ ↗
API endpoints
full doc /v1/registry/tblite
install /v1/registry/tblite/install
compatibility /v1/registry/tblite/compatibility