Parents (Total: 22)

The searched file hash is included in 22 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	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	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

Key	Value
FileSize	3057892
MD5	4BE40EEACBB03C68BF27123FE609B2B5
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	1.2.1-2
SHA-1	742314951676EC70A0A31A2F772A6BCC64793C73
SHA-256	DAA59E0688F63F83169A044FD229A0C9E2EBEB62BB82F8EC06B719BC28F10876

Key	Value
FileSize	2586992
MD5	2F40B5BDC2F8DFBFDD9DAC0A2144BB67
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	1.2.1-2
SHA-1	743556AB807D44A2D2939C761D81D762FA8DFF81
SHA-256	370D3CAE69C07F3E6B0ED8D7C31BE2FA7D5C55902A7098D5F407E3C774EBAC62

Key	Value
FileSize	2732856
MD5	FC22B4E83CDFABD9DB3B512BE7EC988D
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	8C2B750B9A6054E6B8DA382272270699ACC978D4
SHA-256	D7100079DB6B4AB15D95879FB8FD16F2512FD993B9AF0E1A8C4695E07C1F84B5

Key	Value
FileSize	2795024
MD5	D4095671C107F8EA87DF19AC12C31C8B
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	1.2.1-2
SHA-1	9112A2EEB3763D6A8C52B67CB465DC9802657E7F
SHA-256	B3138C50EC3AFA9DC81587E87C196C6E32EB869629B101975D2DE894A99B5807