Binary package “libint2-2t64” in ubuntu noble
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).
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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.
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This package contains the shared library.
Source package
Published versions
- libint2-2t64 2.7.2-1.1build1 in amd64 (Proposed)
- libint2-2t64 2.7.2-1.1build1 in amd64 (Release)
- libint2-2t64 2.7.2-1.1build1 in arm64 (Proposed)
- libint2-2t64 2.7.2-1.1build1 in arm64 (Release)
- libint2-2t64 2.7.2-1.1build1 in armhf (Proposed)
- libint2-2t64 2.7.2-1.1build1 in armhf (Release)
- libint2-2t64 2.7.2-1.1build1 in ppc64el (Proposed)
- libint2-2t64 2.7.2-1.1build1 in ppc64el (Release)
- libint2-2t64 2.7.2-1.1build1 in riscv64 (Proposed)
- libint2-2t64 2.7.2-1.1build1 in riscv64 (Release)
- libint2-2t64 2.7.2-1.1build1 in s390x (Proposed)
- libint2-2t64 2.7.2-1.1build1 in s390x (Release)