deb_control_files:
- control
- md5sums
- shlibs
- triggers
deb_fields:
Architecture: amd64
Breaks: cp2k (<< 8.1-8), libint2-2 (<< 2.7.2-1.1)
Depends: libc6 (>= 2.4), libstdc++6 (>= 13.1)
Description: |-
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.
Homepage: https://github.com/evaleev/libint
Installed-Size: '34612'
Maintainer: Debichem Team <debichem-devel@lists.alioth.debian.org>
Package: libint2-2t64
Priority: optional
Provides: libint2-2 (= 2.7.2-1.1)
Replaces: libint2-2
Section: libs
Source: libint2
Version: 2.7.2-1.1
srcpkg_name: libint2
srcpkg_version: 2.7.2-1.1