Result for 3BB722F9FE19BAB74420000DB510C9CF1954B596

Query result

Key	Value
FileSize	463364
MD5	20A7BECC96502650FAACE4DE42A9F5B6
PackageDescription	Spin-adapted DMRG for ab initio quantum chemistry 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.
PackageMaintainer	Ubuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageName	libchemps2-3
PackageSection	libs
PackageVersion	1.8.9-1build1
SHA-1	3BB722F9FE19BAB74420000DB510C9CF1954B596
SHA-256	A463C2A1985F8DDCFF371B1CA1CAF31DD4B80D2A7D5A2F80E741873813F766CE
hashlookup:children-total	5
hashlookup:trust	50

Network graph view

Children (Total: 5)

The searched file hash includes 5 children files known and seen by metalookup. A sample is included below:

Key	Value
FileName	./usr/share/doc/libchemps2-3/README.md.gz
FileSize	2005
MD5	2147E3294EDB37412E17B83D6C8D2C67
SHA-1	0497A7D0F87FC638259A86B3C5AEFE81880581BC
SHA-256	CEE7EC0861F48F476900CB242F81719FC4DBC4B5E493C3B679047D5C815EB6E3
SSDEEP	48:XG6XweZ6YQl36cOVEDwMXYm8MgswfQdexw4:ceZ6B6JVEcm8iYxh
TLSH	T12E412ADDDD7173491226776102B9CA22EDAF831AFBA7B0DD8D1E80303D650844AD1FD8

Key	Value
FileName	./usr/share/doc/libchemps2-3/changelog.Debian.gz
FileSize	1206
MD5	BC04EB10C3982A2FBAEE22D9AC9A418D
SHA-1	C9BBDE6586879E724C49AC56472A7232FCBC4C9E
SHA-256	03769D594D7ED140AB7C95CDE498FD02A73F55FFD964B8E10551AB12B370DB8D
SSDEEP	24:XTtbQoxLBNdU+sXkshiVuKlj0GtMPMfF20V/MAJ+ljxh9Bh:XTt9xLjq+GSBJ3f40UAJ+dh
TLSH	T18B21B72EF848E98174A956A5DC1C0E5683DC90909E09ABFAB309595E247C3255DA094C

Key	Value
FileName	./usr/share/doc/python3-chemps2/copyright
FileSize	1275
MD5	A47032B036057A68F3B569A65362EBBF
SHA-1	1C81511F729C2005137E79F1C79E86A05009A46E
SHA-256	07005F11E5E0B672C53309C56F0770EF1F4EEA00BF459EBE81AB90AFC0FC77B4
SSDEEP	24:gttrcLchJLRULwNkRhELVyROkHAITbVS2yOnAyjnm+:WXVGoyvHq+nxi+
TLSH	T1AE21205E5290C37E554013C6785295CAE326A27374B8D192640DC39F970AB3B23E24E9

Key	Value
FileName	./usr/lib/i386-linux-gnu/libchemps2.so.3
FileSize	1557876
MD5	EFB026A2498933ED2C10885AD7B6073F
SHA-1	C31BFEC2CFDDC9D94981624A24E0A2EE5DDE4CD8
SHA-256	50EABFAC34A1BCFD0F1CA7AF2AE090FA9086F32F64EF24405AAC4829FE9BF36F
SSDEEP	24576:s5pW4G8TobGljHrJ6OYiOTR3IxW0U4wqVQ1o/dEcLBOvk2B1+0FSXnBtVttOyTtc:szWBrbcxd9UDzmj3Tkmva
TLSH	T19E75074EE7C396E0F4D315F2055B537A99302A25E03AF2F0EF866B56B4B2782FD19124

Key	Value
FileName	./usr/share/doc/libchemps2-3/FILES.md.gz
FileSize	5460
MD5	0DC802981ECF4FF025807CB388338303
RDS:package_id	182052
SHA-1	A9C5753E0D58F3FF1E0321D29BB83D942FF8646C
SHA-256	1260E319AC065E50E73F68F22018FF29115006B08C148060014DCA9179E38BB9
SSDEEP	96:/k5FJy8XODnhNUGMO9azFtsoePNbpboos5iRvwiqB4XR+zmHEkH56mLV5+eJvlWm:/kDJyoQwGZ9awvNuoVwFjzmkkvNJYJA
TLSH	T14BB18E424C2F42E68E525231E06DC95E6D5EC9EF26050900AA05D9FF17FA09D3768EB5
insert-timestamp	1679425104.1517975
source	RDS.db