/tools/xtbiff
xtbiff
grimme-lab/xtbiff
11 stars3 forksAdded February 8, 2026
summary
The xtbiff program is designed to implement a general intermolecular force field using tight-binding quantum chemical calculations. It can be utilized in molecular simulations and is compatible with other computational chemistry tools.
description
General Intermolecular Force Field based on Tight-Binding Quantum Chemical Calculations
topics
computational-chemistryforce-fieldquantum-chemistry
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