Result for 0F46C8DEFCF73C34CD3FC90BAD3786A91EE8BAB3

Query result

Key Value
FileName./usr/share/doc/libchemps2/html/_images/polyene_scaling.png
FileSize35238
MD543CA0A366F2F50FFC0D07389B52AEA9B
SHA-10F46C8DEFCF73C34CD3FC90BAD3786A91EE8BAB3
SHA-2563D782B7CFC912B4496EC23541701A716DC54975BC08E425BAA51D067D852213E
SSDEEP768:+dYp3av4pfn1KLfCVIGGMKlXaMxz+XDCmC40OLQrb6A2OgtNdfRO:+d244tWCVIGbKlqMdUDCmCKE6AZY3O
TLSHT1CFF2F18990D6DB72C1533843EBEDA14ED1733680362F83689932B6C4D3D0FAD9A2E543
hashlookup:parent-total2
hashlookup:trust60

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Parents (Total: 2)

The searched file hash is included in 2 parent files which include package known and seen by metalookup. A sample is included below:

Key Value
FileSize506348
MD5300575EB7DA7A2AC121F0CE247A88A2B
PackageDescriptionDocumentation of the libchemps2-3 package 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 is the common documentation package.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamechemps2-doc
PackageSectiondoc
PackageVersion1.8.10-2
SHA-1AFEA9833A32889282486804CF11FCF0785132459
SHA-2567B402EA0241F9E9CD102F79558D7C34B631C058739B19ED43C6926281CE20F16
Key Value
FileSize503940
MD5F5CB358DE4BFE561ACD8458A44808719
PackageDescriptionDocumentation of the libchemps2-3 package 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 is the common documentation package.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamechemps2-doc
PackageSectiondoc
PackageVersion1.8.10-2
SHA-1FADA0E1464912E5837634759127E804D91ECDAD2
SHA-25645CF890B0BA379C9E61C35132057951FC0561F5C8D34AAB245D2F268E26EBAC6