FICHA · AUR

libecpint-git

A C++ library for the efficient evaluation of integrals over effective core potentials.

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

Description

Effective-core-potential integral evaluation helps computational chemistry software calculate quantum-chemistry terms efficiently. It is useful for research codes that model atoms or molecules with effective core potentials.

This is a scientific developer library, not a chemistry application by itself. Researchers normally use it through simulation packages that call the library during calculations.

Permissions

Permissions not analysed for this source yet.