Parents (Total: 57)

The searched file hash is included in 57 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
MD5	922E6DD60D682E0522BD76DDC86B2A47
PackageArch	aarch64
PackageDescription	libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.
PackageMaintainer	Fedora Project
PackageName	libr12
PackageRelease	2.el7
PackageVersion	1.2.1
SHA-1	01F081043059AB064C30524E9DB7E1334E9045D8
SHA-256	E67632941311BB59CC7A2C4F366A9C37D220908B58CB1CF65DBA8756FFED3944

Key	Value
MD5	F4966C625E274053FCC07EBAE447BE93
PackageArch	i686
PackageDescription	libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces.
PackageMaintainer	Fedora Project
PackageName	libderiv
PackageRelease	10.fc32
PackageVersion	1.2.1
SHA-1	13910C792E493F18F6AEE57D4000E4727B8127F6
SHA-256	067DF0F0286757AB6127E690F153DFB971BF8350CEA7A9E08807BEC5CCB0A3FE

Key	Value
MD5	326A8CFBE385B0BC9255557DC2748A38
PackageArch	aarch64
PackageDescription	libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.
PackageMaintainer	Fedora Project
PackageName	libr12
PackageRelease	13.fc34
PackageVersion	1.2.1
SHA-1	1683A2BF0139BC9A83AE99D30F504AEB19E29609
SHA-256	BC166882224C720C5C4FB9208467789DC42EC1EDFE7FBE9F96BC4333088ADFC9

Key	Value
MD5	F8F8279BD127E3AFB79B08DA1D6902AB
PackageArch	i686
PackageDescription	libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.
PackageMaintainer	Fedora Project
PackageName	libr12
PackageRelease	2.el6
PackageVersion	1.2.1
SHA-1	22420D9C7377C44B7627633787B228605AF8ACBC
SHA-256	5F0A85DB2BFCA2133CB2BD16CEED0A9FF8C314B5E465CC2AFED5A39AFFF7A6FB

Key	Value
MD5	A6F948F244A513448E2CE5D7CC039FD9
PackageArch	x86_64
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	2.el6
PackageVersion	1.2.1
SHA-1	25AF73C6580EFC555327D78E1ED043E5FEEAF64C
SHA-256	3AAEE719BC9A42809DDFC7895760CBB3131B90463E281A59BF264880A2170A22

Key	Value
MD5	F343ACE3721C07002F7EA04BAB1854B5
PackageArch	x86_64
PackageDescription	libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces.
PackageMaintainer	Fedora Project
PackageName	libderiv
PackageRelease	10.fc32
PackageVersion	1.2.1
SHA-1	27E9D91ADC6B1A1DD2D8B2275554FCAC4FF9DA88
SHA-256	1DCDB57B3C102FF398DD2484690E1C939257A2A9FFFEDAC125534672D35E1D00

Key	Value
MD5	193F0D03F9FD8D9B359E4E0B502FA0B6
PackageArch	aarch64
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	13.fc34
PackageVersion	1.2.1
SHA-1	288FD206E59AE1B28CA73DA033D91CF0F7264FDC
SHA-256	5D5F9A88C187DE75F095CB68C994EFB2F2BA675AE124A88AE980622FB39104B7

Key	Value
MD5	F784B36BFB56ACA9E59CFD7DCC3E0285
PackageArch	aarch64
PackageDescription	libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces.
PackageMaintainer	Fedora Project
PackageName	libderiv
PackageRelease	10.fc32
PackageVersion	1.2.1
SHA-1	2A93A19EBCD42BF6401A8AB78FA6778392F8614B
SHA-256	103486B5EF7F454395840829E79C62DB1DB2DA73E2133F163C6F04047603D342

Key	Value
MD5	E01A6101055DEA6254982EA2E5A011AF
PackageArch	i686
PackageDescription	libr12 computes types integrals that appear in Kutzelnigg’s linear R12 theories for electronic structure. All linear R12 methods, such as MP2-R12, contain terms in the wave function that are linear in the inter-electronic distances r_{ij} (hence the name). Appearance of several types of two-body integrals is due to the use of the approximate resolution of the identity to reduce three- and four-body integrals to products of simpler integrals.
PackageMaintainer	Fedora Project
PackageName	libr12
PackageRelease	13.fc34
PackageVersion	1.2.1
SHA-1	2D47361FE8BD71EDBEF722EBEE4D610F7C97D2BF
SHA-256	ED41C0EC31B9DBC313297A226A3661665CE5C8D17A51EF9AFFF3AA214BCB0F2C

Key	Value
MD5	88A4C49827932F0692521DACBBE11E00
PackageArch	ppc64
PackageDescription	libderiv computes first and second derivatives of ERIs with respect to the coordinates of the basis function origin. This type of integrals are also very common in electronic structure theory, where they appear in analytic gradient expressions. The derivatives are typically used in the calculation of forces.
PackageMaintainer	Fedora Project
PackageName	libderiv
PackageRelease	2.el6
PackageVersion	1.2.1
SHA-1	2DD3F9DD4DC2A016D5BEDC099C18E7D2529463EB
SHA-256	EAAE93804DD96396C1FE548B2C3E9551287B342B5796864C92814EF2CE88D13E