Result for A8D43C3390D9CEBEBDE986F2AC780FC3B9416B5F

Query result

Key	Value
FileSize	65596
MD5	ED90EE0269B50762F6E3590DF7C9ABA8
PackageDescription	C++ headers, static library, and symlink for libchemps2-3 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 package installs the C++ headers, static library, and symlink for libchemps2.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	libchemps2-dev
PackageSection	libdevel
PackageVersion	1.8.12-1+b1
SHA-1	A8D43C3390D9CEBEBDE986F2AC780FC3B9416B5F
SHA-256	1ED0B5B1F1E31581FFF7AD21F08EC1D329E4846F1D4E5E7641469DA096221295
hashlookup:children-total	62
hashlookup:trust	50

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Children (Total: 62)

The searched file hash includes 62 children files known and seen by metalookup. A sample is included below:

Key	Value
FileName	./usr/include/chemps2/MPIchemps2.h
FileSize	12471
MD5	887C732ABD519958B5421B57DACAAA2E
SHA-1	075590E8F523D017871A9C9F8F70E3E9A51CFD86
SHA-256	79C71334E5E8A75A4D3272D30CFFABA3BDAB1E08DCFB9D7CEDCACAF70A84980F
SSDEEP	192:fJ6lxnAr1mkm1DZZuSedHQoiBiCN5eAvNHOlN7tcftGC8c/jYS:fJ67G0fFs+h5iI7
TLSH	T1EE42D9077D8E513E56BF4830527E4442EB0D897333AC949C386ECA944F94629BEF81ED

Key	Value
FileName	./usr/share/cmake/CheMPS2/CheMPS2Targets-static.cmake
FileSize	4320
MD5	63001B9962E9DF681CDDB37057C0819B
SHA-1	0935C5E66B7CD04B754974125FC695D0CA7340FA
SHA-256	52F17ADA9BBC47130C62D34879A159FC3337300F334D449B2EE8A5C210C1C992
SSDEEP	96:ZNgbO5GU4EA/zKuWnp2AXsZbpnZ4bb3E7hTN6wL+XmzbUM:XolWnOBxsE7hTN6D+P
TLSH	T11B913E6A4F4A89E207B3DB422AD0E2D5D31198F72B8710F0DE8AB15C53AD54C4ACF1A6

Key	Value
FileName	./usr/include/chemps2/DMRGSCFoptions.h
FileSize	10336
MD5	75D02A03D64AF39D57C1D4E59CFA12BA
SHA-1	14877984A222B96D501D4C4450B8AAF9549D4C78
SHA-256	9C2E30C9660A504269A617C5F0ACA9418F4504EC734A7CF5553C479BB11FB514
SSDEEP	192:fJTp43fY41qn330o1kx6Kv6yAYm2YZsqgefPker9QAYtw:fJTcwBHFu6KiZb/Qc
TLSH	T19122659265C2677F5A2B01B1730FB1C8BA30846B62D9D8443DED42081F423655FBB4FA

Key	Value
FileName	./usr/include/chemps2/Davidson.h
FileSize	5042
MD5	826FF453E1605C0CA12DF1684BCEAAA9
SHA-1	16A36C06BEE0B16EAE5D4512F8BB86F4C2EF6E67
SHA-256	258A1B221E5E5AD371DA6D07ABD002D9DB3563CFC6AF9F3FC1BA22881022A6B5
SSDEEP	96:1YyNTuMRg6x4CM0rOqOdGN/BddSciISbTsNuPrRxhnXtjF:fJxdxmRqOId5ScobTFRxRXtjF
TLSH	T16DA1965F6A1123B74A4F02D1979E10D1922985A375DDE0C83A8E83681F4BC28A7F6FD6

Key	Value
FileName	./usr/include/chemps2/Wigner.h
FileSize	3703
MD5	D9F0FA9315EE78CB67B58B6C9EB33A08
SHA-1	1C3112D96F69B019248880A947BCDF1557775D1F
SHA-256	75713EEB9F03173E3973FCADA364AFFDB21CFFC13E1067A5C57335267D631490
SSDEEP	48:1tbzyN4ynHuhiUQQuGtZ9fVMR3DjM2lLMZK8lMwAM6v9DjA:1tyNTu8UQQRtLdcfC/I9D0
TLSH	T1DB719F892E504635064F02F86BEE7393A694875333B4E1A839DD3AB50F1F53293771E8

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/include/chemps2/Lapack.h
FileSize	2404
MD5	3BCEF7B3BD272325ACBB0ABEF01AA37D
SHA-1	1DB297D2780E3D439BD8F98996716E6184A29DE0
SHA-256	A72A61023FEA3F759B8C75C0993EFC43CE314E1301C5EFF0C78F49152263B368
SSDEEP	48:1tmzyN4ynHuhfYP4APP2twfEEPIuquR8V6ih:1YyNTu62aMEPIuquR8X
TLSH	T18441C80F310232778F2253D688A650CCE219E4B285DCF43C4637F26E4E1B59120B9D7B

Key	Value
FileName	./usr/share/cmake/CheMPS2/CheMPS2Config.cmake
FileSize	5879
MD5	EFB060BBD43E13BDED6B920D6137EB62
SHA-1	2A61F0EA4CD3C51A34FBD29515F9F95CA7FE7887
SHA-256	EB8E4662F3E9F0D5A4BB13E03FC12977758E69519AEBC59E39365D1CA3811C2A
SSDEEP	96:bDS39lDEVKGt3zr7RHRqfdRV5CX4eGw2FdgY8LPhRj7z5kbyyjVHCOvk8BVcnXKT:byDElD5x0VeGwhP34rvkNXKQGBPvxvvR
TLSH	T120C14372BD0439606BD3C4709BFA6096C49790775F731464789E91C82BB84B063BF6F5

Key	Value
FileName	./usr/share/cmake/CheMPS2/CheMPS2Targets-shared.cmake
FileSize	4320
MD5	C1A2A759E7E1E89FBA7A7234887AFBE1
SHA-1	2F7E1903A96C34D6F090BC2C886AE18AABAB66B4
SHA-256	B29F5C8880E74A124AE8627275E1091064081E3A2432EA51819252102926A753
SSDEEP	96:ZNgbO5GU4EA/zKuWnp25XsZbpnZ4bbP7hTN6wL+XmzbUM:XolWn9BxE7hTN6D+P
TLSH	T186913F6A4F4A89E203F3DB422AD1E3D5D31198F72B8710F0DE8AB15C13AD54C4ACF1A6

Key	Value
FileName	./usr/include/chemps2/TensorF1.h
FileSize	2844
MD5	9B1BE98C0DBB1EE3141603648DE1269D
SHA-1	35B34C22D6DE9AC623909749FFA798AD0936B9E1
SHA-256	3302667DC519E56B19A1511256F5C9F896FC54BED74944A49CC4F1EEBC8E737B
SSDEEP	48:1tmzyN4ynHuhT13fkBLGtJQVV8CnL0VUJSCTrlYTUgPKCCYsJ+/pwpHJHpwd:1YyNTuABKtC8saYLTeTUUFRqn4
TLSH	T1AD510E28B89563B9042F03B13B5BB487A32AA1D377AAC461714E934E0F867F467760D4