Parents (Total: 18)

The searched file hash is included in 18 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	4012660
MD5	85C328843D167C11A1C031908D6B8AD8
PackageDescription	Computation Chemistry Integral Evaluation Library 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	libint2-2
PackageSection	libs
PackageVersion	2.6.0-13
SHA-1	08D8E95B8AF05B3A3FE715E56F6C8F59004A3167
SHA-256	91C3CFAD53DBE2E8D93C970B534C738E1A7199A027B80E06C658E5C21F7819A1

Key	Value
FileSize	20885376
MD5	7D4CB1B8C644CE8989D55A6418909B1D
PackageDescription	Computation Chemistry Integral Evaluation Library (development files) The Libint2 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). . Libint2 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 static library and header files.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint2-dev
PackageSection	libdevel
PackageVersion	2.6.0-13
SHA-1	0DCFE23AFDDD5157CE30BCB1A3DEDE6350E0A9F1
SHA-256	C08EBA851574C495B9ACB443BBA83FDBE4D35E982667D35DD302BC678AE244EB

Key	Value
FileSize	21377100
MD5	77151D864FAE7D86D576BE1FF97D2B68
PackageDescription	Computation Chemistry Integral Evaluation Library (development files) The Libint2 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). . Libint2 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 static library and header files.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint2-dev
PackageSection	libdevel
PackageVersion	2.6.0-13
SHA-1	1262CA2511C28BF66D8ED3251AA5D4A2BCB1F883
SHA-256	EF470D6221E52F1F3C3CC1891014520BF7087FFC9B454CF68E1247BAA53FDEFA

Key	Value
FileSize	3906472
MD5	B5AF82B07629F12FA42A72CF440D7A80
PackageDescription	Computation Chemistry Integral Evaluation Library 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	libint2-2
PackageSection	libs
PackageVersion	2.6.0-13
SHA-1	263963BA0892DC9035C0F1A8AC6BA355C9186F80
SHA-256	B3E7BF352E041C7C76C78E7A040CCF0867D0E3E15AA0B738D4572151490172CB

Key	Value
FileSize	18770060
MD5	C4E9DF2CE5373E74CC86D77CE49344A1
PackageDescription	Computation Chemistry Integral Evaluation Library (development files) The Libint2 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). . Libint2 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 static library and header files.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint2-dev
PackageSection	libdevel
PackageVersion	2.6.0-13
SHA-1	362051A13D6D517917FE3143C34B2F984C8FB43C
SHA-256	9D9729E32BF41F09BE1B551ADBC00EDB1947D7C8B8E389BBFB686C218116B427

Key	Value
FileSize	19234708
MD5	D92E08C5ECC6709866A54ABD167983FC
PackageDescription	Computation Chemistry Integral Evaluation Library (development files) The Libint2 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). . Libint2 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 static library and header files.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint2-dev
PackageSection	libdevel
PackageVersion	2.6.0-13
SHA-1	40247B09504DDC05756583C62766EFC67F8A9F3E
SHA-256	B83D7C6DCB7E9BFEC35FAAA979AD85A71BF203910485D49B941406E38A034206

Key	Value
FileSize	21577528
MD5	F152E17ED48AF083ECF20CFE08BE97D4
PackageDescription	Computation Chemistry Integral Evaluation Library (development files) The Libint2 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). . Libint2 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 static library and header files.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libint2-dev
PackageSection	libdevel
PackageVersion	2.6.0-13
SHA-1	413F3091AAB9881BA65CA7C5BAEBFD934BE89E4B
SHA-256	406CD325C392D16668D3279F7203881810D802B4AA87845B46DC21F62FB29091

Key	Value
FileSize	4171696
MD5	74ECF2A432AB59D63B2E615FF5B2CAB3
PackageDescription	Computation Chemistry Integral Evaluation Library 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	libint2-2
PackageSection	libs
PackageVersion	2.6.0-13
SHA-1	4B3143F3654D3709821E0A5F2D2E458AA2A65294
SHA-256	D5D44816FB796AA9C4A869C0B5CC582AF8669E2E90AF7564843C9CFC41D36950

Key	Value
FileSize	4395528
MD5	A7E3734A3234BEB7E9E5D2B49057D275
PackageDescription	Computation Chemistry Integral Evaluation Library 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	libint2-2
PackageSection	libs
PackageVersion	2.6.0-13
SHA-1	5DDDDD635E9A1886E826812E093C31575DF1E987
SHA-256	F74E465C61CB2302C56DBC43A7C90519AFE1EBEA540A4FDB5098440EB8B68550

Key	Value
FileSize	4188352
MD5	38C49CADF185928FFD4B33519EC64A99
PackageDescription	Computation Chemistry Integral Evaluation Library 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	libint2-2
PackageSection	libs
PackageVersion	2.6.0-13
SHA-1	63D4865F5F47FDA2AA6193A17DB85E3B83C2E0F2
SHA-256	0D6349289ADB1067697D1C33A16A4BF082BF15C962B7A07D78FAB1C7B436549D