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Package: libint2-dev (2.7.1-2)

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libint2-dev

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Computation Chemistry Integral Evaluation Library (development files)

The Libint2 library is used to evaluate the traditional (electron repulsion) and certain novel two-body matrix elements (integrals) over Cartesian Gaussian functions used in modern atomic and molecular theory. The idea of the library is to let computer write optimized code for computing such integrals. There are two primary advantages to this: much less human effort is required to write code for computing new integrals, and code can be optimized specifically for a particular computer architecture (e.g., vector processor).

Libint2 has been utilized to implement methods such as Hartree-Fock (HF) and Kohn-Sham density functional theory (KS DFT), second-order Moeller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods.

This package contains the static library and header files.

Other Packages Related to libint2-dev

  • depends
  • recommends
  • suggests
  • dep: libboost-dev
    Boost C++ Libraries development files (default version)
  • dep: libeigen3-dev
    lightweight C++ template library for linear algebra
  • dep: libint2-2 (= 2.7.1-2)
    Computation Chemistry Integral Evaluation Library

Download libint2-dev

Download for all available architectures
Architecture Package Size Installed Size Files
amd64 20,666.2 kB99110 kB [list of files]
arm64 21,522.4 kB89545 kB [list of files]
armhf 18,933.2 kB64170 kB [list of files]
ppc64el 21,257.9 kB93493 kB [list of files]