Result for E086FB5F8807A93F6D2BEF5E09967F204F7091F8

Query result

Key	Value
FileSize	496576
MD5	18C28121984EDBFD4CAC1242B801EAD4
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	1.8.10-2
SHA-1	E086FB5F8807A93F6D2BEF5E09967F204F7091F8
SHA-256	8599F6E9461537A67CFCE037CB7786380D811C6DDA4BEC60870744A71C932FDB
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	79D6474CA3CC9B471587D431A91DBD8D
SHA-1	2452D62DC61244911CA4D19295B3620263226558
SHA-256	19A593E54DFA35BE6319BCC2BAF1146C8275A7335E2D8C81BE13BD1023C660F3
SSDEEP	48:X72Zx981biA5QT+h58JtnRVOX6nXCnMFv66r5rigtIyxCUtMsErLN:qPux5QCUXOX6nQMRBiAbxCzZd
TLSH	T14441EA38993240E3A5DA266FE33D68B77B922C0259BE39EB543D1D203BCE0394902306

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/share/doc/libchemps2-3/changelog.Debian.gz
FileSize	1290
MD5	28F3D46D9CA212761C2A3D1D90D1EE8B
SHA-1	5C68525E20CC669BE9405DCB22F3FE3CA91CBECD
SHA-256	D9BDD4F1D9250137161905E84925CD64A6D6E852F863B01B94469C7D08F640B8
SSDEEP	24:XJmh1wAvLD/vVvx5gSjDnu/EU8dCsg72GbvrcGk9fTRYdclXnILIqZq9/F:XIhCA/xdPgVv7bv32f9YUOIqZq9/F
TLSH	T12A21178AD58D4865EB30608B9EB20790B75AF38D4CCC201BD4132240AB1BB7F4C132A8

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

Key	Value
FileName	./usr/lib/x86_64-linux-gnu/libchemps2.so.3
FileSize	1431720
MD5	89BDC534D80EDABDFBBE3BC3F7DCBFA1
SHA-1	503B9A6E13C9D76498A49B87EC6F7FF5110C7328
SHA-256	F7DFB83B625ABC714C864895437F24F9EED0F13E70D1EEF27037D21616B46E80
SSDEEP	24576:Hsj0Ev0wkI63Rqx8+NYR3MT8QtFc8XVEbLVJQWLqYcZgHRmeVseg:HfEv0UORqqcwmVEbTQWvcKs
TLSH	T19D655D47E1D344E8C597D8B48767A263E6707848403CBBB6AB94DF701D3BF10BA9A352