/tools/tblite
tblite
tblite/tblite
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
Ratings
N/A
0 ratings
Rate this tool: