all options
buster  ] [  bullseye  ] [  bookworm  ] [  sid  ]
[ Source: libint2  ]

Package: libint2-2 (2.6.0-13)

Links for libint2-2

Screenshot

Debian Resources:

Download Source Package libint2:

Maintainers:

External Resources:

Similar packages:

Computation Chemistry Integral Evaluation Library

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 shared library.

Other Packages Related to libint2-2

  • depends
  • recommends
  • suggests
  • enhances

Download libint2-2

Download for all available architectures
Architecture Package Size Installed Size Files
i386 3,555.1 kB30,400.0 kB [list of files]