Parents (Total: 54)

The searched file hash is included in 54 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	780828
MD5	0DCD81D93AA3920BD25D15F44CACD1D4
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libint1
PackageSection	libs
PackageVersion	1.1.5-1ubuntu1
SHA-1	027DC2A046E63E95D19C9388A8C129D20B7518E2
SHA-256	5F72D6D3B31EDCDECF631B66ECCF8979912131D3EE0EDC01AB59B0190664F4F5

Key	Value
FileSize	2739456
MD5	45941BDB21552CC9E073BA1B36A83EEB
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	04298120B26B2B101FF2DD5AA33B3AAA2F479A4F
SHA-256	0DB66ABDA13117B05F12B96DF62874748AED2D20A057C3B0F235715678498B2E

Key	Value
FileSize	2862972
MD5	74568A7D47E741D78A44917328D332A3
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	077C8696D815AA2A1B08F4433F2548B9E1542FB2
SHA-256	3F89680F614517F1483CEF0B3B1B704B22785B78B9386F836ED540F3C38AC742

Key	Value
FileSize	3056808
MD5	EEAED079EBB089CA83642B42A2CDAD55
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	0F519B39BE7DE75DCA410077773A2015A476A759
SHA-256	68DA9ACB603CCFE79748E701FE0C99BFB354DB7A0472A1EC24B44685DA9DCC5A

Key	Value
FileSize	2269166
MD5	A6D9ACBD0140B6D73D55DFE702232F14
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+b2
SHA-1	15B2459B7C5E23AE11ACD3E91A49BA3AE81F36AC
SHA-256	E2A0BA08173BA66D45D5017B8ADBC4617ECB044C097CEB88427A155FC06ACACD

Key	Value
FileSize	834286
MD5	30052273E96C84DA43B77EA2102FD062
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	1.1.5-1
SHA-1	165B8B422F1C0461BD60FD040EC150D87336670B
SHA-256	86AEDE7A27A36D71DDDD1466D2DCAD6FC39C501D31F118CD44E232A7B4B942E7

Key	Value
FileSize	2598920
MD5	09D0E6852E824EA750066A1BDB049B17
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	16FABA3D4A4589AC58761B9B992454FA20DB4C5E
SHA-256	9520CCE501AAB44D7DB53E806D731258C797FE0D51B164169148D4F976D798CF

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

Key	Value
FileSize	893114
MD5	3093E3CF6733565AD742BABE0870FB12
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	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libint-dbg
PackageSection	debug
PackageVersion	1.1.5-1ubuntu1
SHA-1	2BD8549512987220C3E9BDA929BB96CB9FAC7E99
SHA-256	95D6AC6832CDC689A63B455CBE30F45E7BDF27B388CDB9DF8EC2E53805B6D09A

Key	Value
FileSize	2591984
MD5	F2C6021F4BB82008B9C7744BD6BC86E6
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	2CB03BF63A76DF5598DC31A58F48188BA95A7219
SHA-256	67129C6893E2D23C3E602B7F31BF52D6FB6C4C4F038888C31356181A7695FBBB