Parents (Total: 33)

The searched file hash is included in 33 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
MD5	581451F37BA7AE9D4EE3AB714D6B4A7C
PackageArch	armv7hl
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	5.fc15
PackageVersion	1.1.4
SHA-1	01BFDFC3C5BB379600CEF013CA7AEB646E486C44
SHA-256	CD0D23405E2BBAE027FB7BA0AB4EB4B2FC0713434A15B0F57480D65CEF16CB92

Key	Value
MD5	4B2F771EB336E8EDBA8625CDA11E7984
PackageArch	armv5tel
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	3.fc13
PackageVersion	1.1.4
SHA-1	2F978577A123C98DF040FD2BA257257039004EF7
SHA-256	33899D930EF0E271B30A0340F656E8977A791CD1C482989028B86669F128EE90

Key	Value
MD5	0434AA17BA086D8D9AD8C44FD800174D
PackageArch	sparcv9
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	4.fc15
PackageVersion	1.1.4
SHA-1	339E551F32ED6A57EA110E865C9DC122F597CA09
SHA-256	BD6AA23651E82695C498E2C410BBC7A3DEE90B01F05FF946667E7D2032B94DD6

Key	Value
MD5	DBFCB7F484E5C3BBD570F4A6ECAE7EB9
PackageArch	ppc64
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Koji
PackageName	libint
PackageRelease	5.fc15
PackageVersion	1.1.4
SHA-1	34C01505C241F14CF91E871084B3A90033BF90B3
SHA-256	A6F08F8F045C53B634A7C0107981CE9526A5814FF818DE927009C184B4BFC0F2

Key	Value
MD5	3F660B1E54B0DF89F0FFD92CBCA637F3
PackageArch	s390
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	5.fc15
PackageVersion	1.1.4
SHA-1	3DAB6306627AB8D749AEA58DE95158E53C9AE912
SHA-256	CC230C416846676304ABAD520091A462580AFD127F90522E0CED7C6FA7EAABB1

Key	Value
MD5	1CE4C70509F38487A902E14C15D5ECE1
PackageArch	sparcv9
PackageDescription	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 Moller-Plesset perturbation theory (MP2), coupled cluster singles and doubles (CCSD) method, as well as explicitly correlated R12 methods.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	2.fc12
PackageVersion	1.1.4
SHA-1	456BA6FC0200E129CF6F687E42EFD6161201850C
SHA-256	0FB82CFC6A19C2681FBC61E8448A9C4E0A36EFD017D56449F7C89ADB74C410EF

Key	Value
MD5	B6FE6B669125825F9E252E6F6572EB3F
PackageArch	armv7hl
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	9.fc18
PackageVersion	1.1.4
SHA-1	463ADFA507761CF4462D3FD4A877A77E9D7B8FF0
SHA-256	21F4D092FC0AB03D330C263EA98C9CAA259412550E1DA1D3E435FA7E343B93DF

Key	Value
MD5	1B638921F192C538C0113AAD1D31A816
PackageArch	ppc
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Koji
PackageName	libint
PackageRelease	9.fc18
PackageVersion	1.1.4
SHA-1	51A0D3584B44BC6AC29E96E593C7DE85EC31AD05
SHA-256	1212D16C75AB0BB43C58D1EB377D1C2EC188FFBB153910DE0C6AC9A7C3C9FADE

Key	Value
MD5	85AF6C3C82E9C3CA9B6C52A8CAEF0DAF
PackageArch	armv5tel
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Fedora Project
PackageName	libint
PackageRelease	9.fc18
PackageVersion	1.1.4
SHA-1	56811C828805B3A080CD3CF9B757DE83F12B643D
SHA-256	5C27FC93C6AC9F654DD988E404934416EDE95B3E4B0E5FA82A84284447E2C823

Key	Value
MD5	307812FEBB29DF2D4616634C637A0695
PackageArch	ppc64
PackageDescription	LIBINT computes the Coulomb and exchange integrals, which in electronic structure theory are called electron repulsion integrals (ERIs). This is by far the most common type of integrals in molecular structure theory. LIBINT uses recursive schemes that originate in seminal Obara-Saika method and Head-Gordon and Pople’s variation thereof. The idea of LIBINT is to optimize computer implementation of such methods by implementing an optimizing compiler to generate automatically highly-specialized code that runs well on super-scalar architectures.
PackageMaintainer	Koji
PackageName	libint
PackageRelease	7.fc17
PackageVersion	1.1.4
SHA-1	5839E1C0DF1870DFF4204ED617C18F405487FC38
SHA-256	F06D9A14C82DCE224274F9CDD9ECA37476E6ED212DC9DAA89B448EA447B9BE34