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grimme-lab/xtb

Semiempirical Extended Tight-Binding Program Package

Owner
grimme-lab (organization)
Stars
Stars: 877
Forks
Forks: 216
Language
Fortran
License
LGPL-3.0
Created
2019
Topics
quantum-chemistrytight-bindingcomputational-chemistryatomistic-simulationsforce-field
Tier
Beta (700 to 1,999 ★) What this tier means
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