/tools/tblite

tblite

tblite/tblite

184 stars58 forksFortranWebsiteAdded February 8, 2026
summary

tblite is a light-weight framework designed for tight-binding quantum chemistry calculations. It allows users to perform single-point energy calculations and provides a high-level interface for manipulating parametrization data, making it useful for molecular property predictions.

description

Light-weight tight-binding framework

topics

tight-bindingquantum-chemistryfortran-package-manager

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