Result for B3C80A9AE3F6BB16A8C42E1DD82F33C51A30B0AF

Query result

Key	Value
FileSize	447982
MD5	600B637304142BD34D7AB5767099C3EB
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	libchemps2-2
PackageSection	libs
PackageVersion	1.8-2
SHA-1	B3C80A9AE3F6BB16A8C42E1DD82F33C51A30B0AF
SHA-256	3CD33A853AF2B210485BF706B9A0173545C09B553F833035C64CE3B512661941
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/libchemps2-2/README.md.gz
FileSize	1960
MD5	382C791F02683830452D696AD4171EC0
SHA-1	4065BCB78402DAA3E6C1474A454A934836F5CA83
SHA-256	AF5EAFF760035BEC19EEF0D98157DD1664DC276A5E652DB7DD077999A059E259
SSDEEP	48:XduMBM6ttOzkqPYK8/H30ziguiqxvQz+cGP:ZBM4qd8P3eiguizyP
TLSH	T137412C45CE7523DDC41ADBB602F1654B95ED85E67A9361CE5E4E401078F41D8C90BA48

Key	Value
FileName	./usr/lib/s390x-linux-gnu/libchemps2.so.2
FileSize	1502656
MD5	3F716DD30F630F244AF08770D741F8CF
SHA-1	92F51A28D6EF0085B1B473EBC984D40535014967
SHA-256	8C1B37A5BA2EC726FA17AFB60C29407413FF5972D1D2D1B399C59FE44D5184B8
SSDEEP	12288:Vy+LU3sS+fS+EeIug1GZrIH6/3wb2pzvFeUtmmphEgVceLuBv1X42efVuZzkCa0p:Vyfyljj48BceC7X42ef8VgJPYX
TLSH	T1546519DBA4B48F57D4B9BE36E2A77BF4A247763E2DC53E4986DCCB350813102411A932

Key	Value
FileName	./usr/share/doc/libchemps2-2/changelog.Debian.gz
FileSize	1040
MD5	C64DAF5D60B0F7D27851E85435977CFC
SHA-1	6F78CD3233718F944CD549AA425CDA3FA4FFC325
SHA-256	D14FF18C8AFA8C6D9FDBC9F6DF1598550DCC0B48A5A6FB81C9C05E3DB8A0F3D5
SSDEEP	24:Xy1ArneMKV9MW0mWD7IH0ilP25NMpHv+VxCag/r+l:XFjEg7IUUcyhYCag/ra
TLSH	T19411D890A37915BF4C40A2E1D410A4D1895389FFA39CCDA5701A52E8BD92240C56B79E

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/python-chemps2/copyright
FileSize	1292
MD5	B1B9D31A73F20335392F4D524BEAAA8A
SHA-1	15E1395D41961B7F484DE7CA284B841CB986B1D1
SHA-256	BFAE04B1D41E1D5D07DFE0D0CA6DFBBB6F7AA052E9D208206E9CFE9E50972CEF
SSDEEP	24:g0trcLcMIhuELRhELwNkRhELVyROkHAITbVS2yOnAyjnm+:D9u2hGoyvHq+nxi+
TLSH	T114210E5D5294C27E554013C2BD9295CAE32AA27374B8D092644DC39AD60AA3A23E24E9