FICHA · AUR

libint2

A high-performance library for computing Gaussian integrals in quantum mechanics

  • Library
  • SCIENCE
  • Dev
  • Dependency only
official+codex · reviewed · Jun 1, 2026 description in en

Description

Gaussian integral computation helps quantum-chemistry and molecular-simulation software calculate the mathematical terms needed for electronic-structure methods. It is useful for research applications that need high-performance integral evaluation.

This is a scientific developer library, not a chemistry app by itself. Results depend on the calling program, basis sets, methods, and input data, so research outputs still require expert review.

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