Parents (Total: 3)

The searched file hash is included in 3 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	1303108
MD5	02417718404F7C33798AF5BEB637BF4B
PackageDescription	Evaluate the integrals in modern atomic and molecular theory (debug) 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 detached debugging symbols.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint-dbg
PackageSection	debug
PackageVersion	1.1.6-2+b1
SHA-1	4F8783E5A5820CD947BBCDEA3C0618CA9678269F
SHA-256	8F04381AAAAC0E6421C64395B28029B28746055910376EA5A390176D1FFD0318

Key	Value
FileSize	2530598
MD5	A33E2715D8C07DFB712376F70A6B956A
PackageDescription	Evaluate the integrals in modern atomic and molecular theory (devel) 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint-dev
PackageSection	libdevel
PackageVersion	1.1.6-2+b1
SHA-1	4A98609073372E160E3C0E6896D1BF7E9AED81B2
SHA-256	0FCFA0D65410EA10A9CAFD4A310816DBF63B1E34337DECA8F34CAA1731801A3A

Key	Value
FileSize	2336458
MD5	411A1A14D6939B7863E6D6A242F93AFE
PackageDescription	Evaluate the integrals in modern atomic and molecular theory 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint1
PackageSection	libs
PackageVersion	1.1.6-2+b1
SHA-1	23796AE900606C38FFB57DDB63E2CC83546A7A40
SHA-256	F0A1C675F8EA80E476A6ECAEA72CC499FF83E39E78BDF572556B2734D9F524BE