Parents (Total: 41)

The searched file hash is included in 41 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	7550192
MD5	07F1015DAD799DCB8667A2815F7303E0
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	1.2.1-6
SHA-1	0058AF44C688E7CC3A0E0A1B1D8B44FD5D143E51
SHA-256	599D6CF39E3E9481C986BDBA17B7B129D9412102D121DB0BE19C17B049024B2D

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	2336916
MD5	4D0C5C00AD64894338E9F1FEDC613DA9
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	1.2.1-2
SHA-1	092FECCE931C36472E62201DECBD9A26EBC6EF03
SHA-256	6191E86759AC30227CA2B23F634D0A68DE81387F11E8A2D49B4ADB31D18ECDC3

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	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	7512396
MD5	3432DA0B2038E3143F8745202E4C5595
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	1.2.1-6
SHA-1	1F3658D77119B2589C8673E0734493A56E2A2CF9
SHA-256	7C9A76B945E878ABAFB25E0BBE9227ADD2AA8E1A88C545AB9105FE8B18ADC441

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	4402076
MD5	0A99618B7E20B1669EAADA85614C2C59
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	1.2.1-2
SHA-1	2F4050F82664228D53C5B525B9A69E4712D73965
SHA-256	88C9222024D90277F78B18B8F822566144EAB036AF0FAE8A66227AA65DBE21CB

Key	Value
FileSize	2792956
MD5	2A11DB7FC26668DA1FFE0613F397669E
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	1.2.1-2
SHA-1	339872B059A7517257DAF9D92E831F11B9463AE4
SHA-256	687C70B6BDCDC5CF5005A7DAF29F37DAFAE21C4D60337994C5A8D2C07CDB9351

Key	Value
FileSize	1618266
MD5	4E81138509980792A055AFD4479E2E8D
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	1.1.5-1
SHA-1	38281555102DE3569FDF21A301FE848C3CFB13F4
SHA-256	35CE911591E3D51F76B5166E8AE9F8C3F10C590A9CF93DF75462AA84EEAD3A3B