Parents (Total: 38)

The searched file hash is included in 38 parent files which include package known and seen by metalookup. A sample is included below:

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	7841712
MD5	173EA09A904876A880DA6DDFF704B461
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	1.2.1-6
SHA-1	1B0EB8520F01A15DAA770B430C5727633045CC94
SHA-256	E87CE710302414980BD815DA54B199A14D133FA499BB6C3284E5F9FE45B5056A

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	8230116
MD5	E745BE4948E5B72C0099F6D2F292B2DF
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	1.2.1-6
SHA-1	2A8B30A4A32691B8CC85F10206D0D641DE91AF65
SHA-256	7B7924F24DC5CCEF5D6BE5CBF1E3916A32D1E4C9644BA3C8C756F6554B8B3EE3

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	9828016
MD5	540BB1BB0929252982177DB5E723CF36
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	1.2.1-6
SHA-1	4A61DF9427A59F3B2E34061450125248BB32BDAC
SHA-256	E7EDFF000F7FE3B81F06ACFB98633264447B98534430ED9C3218C9B3F14CDB4C

Key	Value
FileSize	2671516
MD5	5F49A8469FC68703451224714AAFEA26
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	592A77E236ED54BF6DD7C98DA70A0FA67DAB2DFF
SHA-256	AE9C7D7ED36C6F92DCEB9027D03E97C0C26826EFF4D45384A2BFAEDB8351A4EC

Key	Value
FileSize	2398316
MD5	1B33E9F9E7146E96FF37A1FE5E2F2525
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	61C7DBC3AA733C5E74CE7423F14B406AE840CB56
SHA-256	25F05C7C578DD3E56A01099FA8AACD0A6C5B88D39F04B1317F2034220F134B2C

Key	Value
FileSize	2634492
MD5	6DDC15323AAAA337D2E27993EDEFCBCE
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	658E74A6D501DB755C134F806B84B52820E3EF8F
SHA-256	E106C3D612D2D38E27C9FA7B6C41425D14A5C2B9D88782AF7586AF0167F1ADFF