Parents (Total: 3)

The searched file hash is included in 3 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
FileSize	2825406
MD5	57F793B9BBBA3B9392BCDCCECCE6ED18
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	9D4E7A5D3A87D31AB787B9AA977CF815C96B0B2A
SHA-256	C9F051800E618EA9E961FC81071EDB22EF5C4102E6B7E8DC51DACD8FBEA0CA52

Key	Value
FileSize	2752784
MD5	8DFC7BB31DD351B23ECE3400C09D3112
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	4B001169B9E0EB543B5EBB19CF5ECFB50F62383C
SHA-256	2D56069330DCDAD493F8975F7FE73E92ABC236A40890D5BF9807EF24FE528211

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