Parents (Total: 12)

The searched file hash is included in 12 parent files which include package known and seen by metalookup. A sample is included below:

Key	Value
MD5	A585627A5D7732F64AC8E68DD8A085BA
PackageArch	aarch64
PackageDescription	The CheMPS2-devel package contains libraries and header files for developing applications that use CheMPS2.
PackageMaintainer	Fedora Project
PackageName	CheMPS2-devel
PackageRelease	6.fc32
PackageVersion	1.8.9
SHA-1	C12F2D3B0A034F73DB648F95CA31EB84AA955C08
SHA-256	5705B9322B39C920BAC86AB2C77CAA28C8B66CD5F320DC05A875E7C9115D229F

Key	Value
MD5	2FF73E17598E96D3F745749932D6CA5A
PackageArch	x86_64
PackageDescription	The CheMPS2-devel package contains libraries and header files for developing applications that use CheMPS2.
PackageMaintainer	Fedora Project
PackageName	CheMPS2-devel
PackageRelease	10.fc33
PackageVersion	1.8.9
SHA-1	D9A56E8AB47EF70882CD49384106B3ECC4A5F05E
SHA-256	4720F26CFB638906BFD85D92253FAB5FAD6775C7E3E5A302809CAB60F40AF9C8

Key	Value
MD5	6EE62C305F72E4BED583F635EAA03B0A
PackageArch	aarch64
PackageDescription	The CheMPS2-devel package contains libraries and header files for developing applications that use CheMPS2.
PackageMaintainer	Fedora Project
PackageName	CheMPS2-devel
PackageRelease	10.fc33
PackageVersion	1.8.9
SHA-1	F7F972E4624E083B28E85A7E035F01B69847163E
SHA-256	3BD1E480AA26B1EF4354CD21005AC74A41557B76E0D5D3195871F315827C75C8

Key	Value
FileSize	66836
MD5	AF9B56D21AF48A20368BD79A0DE63A98
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b5
SHA-1	838D708275DE0398CC339EFDE9A400F13F5ECD6F
SHA-256	B536CE48D2AE620DD8C9ED80914F63764F259C895ED83183A197D63DC7EE23A1

Key	Value
FileSize	63004
MD5	2DD7EBBAC70F1C73134E362E41541347
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1build4
SHA-1	7D037C10E14E670C6E301E517B2E2F91E9536DB0
SHA-256	680AE8D6736E38D60B0BF2657E14D4ABC03B608EEEB0D47F1E4AC45B950347B8

Key	Value
FileSize	7981124
MD5	234830F03F038126F2BD28A61372914D
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b3
SHA-1	C4BBC99614ABA6B023BC3F5ACD1D7FEB91E49BD0
SHA-256	862E8E995A98A186ABD3CF2BB77CCD62B3F006F2B47F32D109C4B53D5CE7C9EB

Key	Value
FileSize	66840
MD5	4D7D3EED46222077514CB6696513C6C0
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b5
SHA-1	E21817F3D3D9088B23A21E900E72FD8FE4D645B1
SHA-256	BFD8C160CB4280933D02AC639B8E684F37AD952E12672AF623F4BD31264BA08C

Key	Value
FileSize	66816
MD5	B2C42CF1E96157C3A20A6BB3AD7D4FFB
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b4
SHA-1	9E50D6C42AF76089090A6032E07E7C18C5BFB9D8
SHA-256	08FC30BA54282880711D33A9A7952D388E51C7654953F4679F4E4AAFCF18AA80

Key	Value
FileSize	66808
MD5	A597A07BDCA23479CC5F72B3A0613B40
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b4
SHA-1	F1480AE1CAEC8EA9605BD412AE7D28600067B62E
SHA-256	5CD24369E2898EFAF533F416D9DEFCCFADD43E78D01F9BE14BDCD94EFC6E91F2

Key	Value
FileSize	7968752
MD5	043637D58CF1A5E7AF1322AE8A696B1A
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1+b3
SHA-1	617FA318FBDD4B00D8DEA4A2BA383451FA3FD8F8
SHA-256	D757F23AC8B73D0A9440C21A78425E8E9FD7EF0B533EE918E07926D804DA7432

Key	Value
MD5	E5EADFDE0307DB9B956128B08F140E45
PackageArch	x86_64
PackageDescription	The CheMPS2-devel package contains libraries and header files for developing applications that use CheMPS2.
PackageMaintainer	Fedora Project
PackageName	CheMPS2-devel
PackageRelease	6.fc32
PackageVersion	1.8.9
SHA-1	CD99A430B442FF8F34434AE27485F05B501A6D43
SHA-256	17CDBFAD3214E570BE93D0C298B449D6A0E82F99EFAE564DE9A6A2F57CF4BC59

Key	Value
FileSize	62968
MD5	389DE95E8B4A043F1AE07FF0850DAABC
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 chemps2 is a scientific library which contains a spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This wavefunction method allows one to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction (FCI), and allows one to extract the 2-, 3-, and 4-particle reduced density matrices (2-, 3- and 4-RDM) of the active space. . For general active spaces up to 40 electrons in 40 orbitals can be handled with DMRG, and for one-dimensional active spaces up to 100 electrons in 100 orbitals. The 2-RDM of these active spaces can also be easily extracted, while the 3- and 4-RDM are limited to about 28 orbitals. . When the active space size becomes prohibitively expensive for FCI, DMRG can be used to replace the FCI solver in the complete active space self consistent field (CASSCF) method and the corresponding complete active space second order perturbation theory (CASPT2). The corresponding methods are called DMRG-SCF and DMRG-CASPT2, respectively. For DMRG-SCF the active space 2-RDM is required, and for DMRG-CASPT2 the active space 4-RDM. . This package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.9-1build3
SHA-1	F51C2DCD2AEF43C6C886D927EE1C1FB6E987CB15
SHA-256	E9069941D18482E6B31B880090EB8099A885F3C43E7683AC81E89C688A5FCE72