libint-dev - Evaluate the integrals in modern atomic and molecular theory (devel)

Distribution: Debian 8 (Jessie)
Repository: Debian Main amd64
Package name: libint-dev
Package version: 1.1.5
Package release: 1
Package architecture: amd64
Package type: deb
Installed size: 6.75 KB
Download size: 1.44 MB
Official Mirror:
The LIBINT 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). LIBINT 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 development header files.



    Source package: libint

    Install Howto

    1. Update the package index:
      # sudo apt-get update
    2. Install libint-dev deb package:
      # sudo apt-get install libint-dev


    • /usr/include/libderiv/libderiv.h
    • /usr/include/libint/hrr_header.h
    • /usr/include/libint/libint.h
    • /usr/include/libint/vrr_header.h
    • /usr/include/libr12/libr12.h
    • /usr/lib/libderiv.a
    • /usr/lib/
    • /usr/lib/libint.a
    • /usr/lib/
    • /usr/lib/libr12.a
    • /usr/lib/
    • /usr/share/doc-base/libint-dev
    • /usr/share/doc/libint-dev/changelog.Debian.gz
    • /usr/share/doc/libint-dev/changelog.gz
    • /usr/share/doc/libint-dev/copyright
    • /usr/share/doc/libint-dev/progman.pdf.gz


    2013-05-26 - Debichem Team <> libint (1.1.5-1) unstable; urgency=low [ Daniel Leidert ] * New upstream release. * debian/control: Dropped DM-Upload-Allowed. (Uploaders): Removed myself. (Standards-Version): Bumped to 3.9.4. (Build-Depends): Added texlive-font-utils for pslatex. * debian/copyright: Updated and rewritten in dep5 format. * debian/libint1.lintian-overrides: Added. * debian/libint-dev.doc-base: Fixed doc-base-uses-applications-section. * debian/rules: Enable hardening and parallel mode. Install changelog. (override_dh_configure): Set shell to bash. * debian/upstream: Added. * debian/watch: Fixed. * debian/patches/01_fix_doc_makefile.patch: Renamed to debian/patches/fix_doc_makefile.patch. * debian/patches/enable_hardening.patch: Added. - Fix build with hardening flags enabled. * debian/patches/fix_makefiles.patch: Added. - Enable LDFLAGS for libraries. * debian/patches/series: Adjusted.

    2012-02-12 - Michael Banck <> libint (1.1.4-1) unstable; urgency=low * Initial upload (Closes: #425039).