Result for 0F8DAA14DCE56DEB890B8D968721A5369063F95D

Query result

Key	Value
FileSize	474248
MD5	4FD6EC2714952E75DA5947B927E169B0
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	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-3
PackageSection	libs
PackageVersion	1.8.9-1+b3
SHA-1	0F8DAA14DCE56DEB890B8D968721A5369063F95D
SHA-256	D38B7C1CB3B7C9570C04E1B4818D91C9F85C929B4923AD947B237F0535A8A69F
hashlookup:children-total	7
hashlookup:trust	50

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Children (Total: 7)

The searched file hash includes 7 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/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	1574260
MD5	0EF9D5F56CAB4D6FBE6A3ABB305407EB
SHA-1	1B93CFFF006D91E6E53D85E3983731B0C2379E75
SHA-256	9FFA1996CC8FADB7392B2EA2CB725F32E1D8B82EAB5CC55A2B96F825EABC88C2
SSDEEP	24576:WcbT5s0tcp64D6HeLSpWTsGwPGqwwZHmStlPwS7aeSi1NHQZBz7cdEImIfLoeNOK:W2T5sPACRUHhnZGsQZ0Bf3yVcP
TLSH	T1B175064EE7C392E0F4D315F21157533B9A341615E13AF2F0EF8A7B56B4A2682FD29128

Key	Value
FileName	./usr/share/doc/python3-chemps2/changelog.gz
FileSize	1494
MD5	FF3A5CC3749799E00FB1980F06CB8661
SHA-1	81F659CA1CFC028B8024279B28F219C577F0E22F
SHA-256	8AC6E7549001BA529087B0950B383186C50F0FB8157BEBF84327764507B9B01E
SSDEEP	24:XfNeiyqD9QpOlUG74BNwO77GNsrooBmg4Q0qSKHbrJwThQ++SIil1lem8OYG0rUZ:XfNeid9QolH74s0GKcoBEErJwFFlezyZ
TLSH	T1CB311C0405AD266918A07D349ACE3EF8F5BE0AD131FC4DE2223B6C5768C4205454DE5E

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/share/doc/python3-chemps2/changelog.Debian.i386.gz
FileSize	218
MD5	3F5F489E00C94D244FB83D7D94D096BF
SHA-1	57EAB3992AA827FA17722F226615625965014A03
SHA-256	31FE4EB7B41081BD90457290F378C936AB8997ACDB6E47D4B507AA8E3350A863
SSDEEP	3:FttGeZmbbEPzfZP0+PA+9SL4BE2ZpfPnA+vCYTeYG8YrtTZmSECH5+gmwP7k0l:Xt9L501+9dxHTeBTtToJgm67pl
TLSH	T1A8D02353520D0073997CE9DD725D465072056447DB95D883055394F3FE1D5C1D1705DC

Key	Value
FileName	./usr/share/doc/python3-chemps2/changelog.Debian.gz
FileSize	1999
MD5	2C9923C4A1CEBA62F5A0194D652A2CE6
SHA-1	B3AD18ABEB37CAFD1DD1B56A20EE30299EF8A4A6
SHA-256	FC584561F6988B5D6C22C0E26D06E5E921B05284D07505577806BAE4B97B2519
SSDEEP	48:XqAzQSF8jDK51CjZiY+asP7PZ1q6guA6z9D6XSQ6+Zh:6AIDJ9oPLZUuvhD6XSRoh
TLSH	T151412AD7D08B586D4394BE3A1BB00225BE3C4DCD96FB9567925922CF1A28E6B35BE004