Result for AFEA9833A32889282486804CF11FCF0785132459

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Children (55)

Query result

Key Value
FileSize506348
MD5300575EB7DA7A2AC121F0CE247A88A2B
PackageDescriptionDocumentation of the libchemps2-3 package 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 is the common documentation package.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamechemps2-doc
PackageSectiondoc
PackageVersion1.8.10-2
SHA-1AFEA9833A32889282486804CF11FCF0785132459
SHA-2567B402EA0241F9E9CD102F79558D7C34B631C058739B19ED43C6926281CE20F16
hashlookup:children-total55
hashlookup:trust50

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Children (Total: 55)

The searched file hash includes 55 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/share/doc/libchemps2/html/_sources/sourcecode.rst.txt
FileSize9355
MD54CBBF6023BB6F6AB6BEE2D8042069191
SHA-1018F14B6F96F615CAD89E783BFAFFDFC9D541C64
SHA-256987B2E9630EA45566188607864EC8CF2A177A5E5E7FC803E8535C65619FB673C
SSDEEP192:wJDYHoH919TLtWnf/Wq8ke2/4RJ8pdWbCZZs0C4SKQg6Ags:wJGov9qWqI2AL0WbCZZpCF//s
TLSHT1521296EB7F285FB416A283A5218A50D6E33AC57B42B04054D09E83DE43379F893BF6D5
Key Value
FileName./usr/share/doc/libchemps2/html/dmrgscfcalcs.html
FileSize22349
MD5F1F21DF2D4F25DD3A0AF0EAF68183A65
SHA-101CC291CE291931C3EB34EB3EC688E33297E21CE
SHA-256DC86830E71A50E806F1AAD4A932F92ACA5F769C2908611224AF99714B5169164
SSDEEP384:tSni5EOEM8j0r81aNkU1pQSNVUSNw2Zt4sYv31ngr:gUEOEwgaNkU1pQSNCSNwmt4sYv31i
TLSHT14AA264E1A5F28533053381E7A2FE0B65B1E6806BE0960540B6FC53BC83EDC94795BD6E
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/inoutput.rst.txt
FileSize16296
MD5D2DE49D1BBFF30FD69D1FFA47069E424
SHA-10583BAC0DA81ADF9CE62970033A69EEDE067F4F1
SHA-25699FEF1CC70BA33D6021DD1ED5E587DF4E2BB3F7CE31E037C0D291B2FFDB2ED52
SSDEEP384:wJM4wlFU5IwzBOoXGbglTulh8gLfnyojd:wJMMulhFmId
TLSHT1F07274663E202B721E17C1B1618B31C5F769C49B337995ADB68C826C9B32720827FFD1
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/resources.rst.txt
FileSize9984
MD51ED1C24058C3644035A51B5A7B232055
SHA-108518BF994D9877B2572EF93B9C31B03CCABDAF7
SHA-256EE16D6E33500490442D7158B50D6DFB509754C780A68E9F9C51541E7FA1842F1
SSDEEP96:5yNTuFI8Wma1f+p5/Qa3uPkSM6jo5/HMlVvYrRjsZgfMZAjlgkinEtJ40Byl////:wJ2IvJ1cuZM6j8HMlGrRwgMZq2kiEtaX
TLSHT15822C4EB2E6203350E15D3F225CF16D6FB9F882A53756807B48E8108D365B6903BEF91
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/interfaces.rst.txt
FileSize5221
MD5A2BECAD098CFB0F0D0D2DBB4AE1259F8
SHA-10AB4DE951B0CA259048B59D2C6D7E7B2D2A2FDF0
SHA-25680D377F3C1A7B8DA978630949A8DDD06870BB8F6EACC6233127B077FB73B3CB9
SSDEEP96:5yNTuVHsS+rMJRS+OdEnrpX5455Xm+J/9r+obG5+BbzJaW39Z7JmhG:wJ+HsrrkOdEFGX/xYmxJaW3YhG
TLSHT159B1C985308807F187238771215D00FDE239C1BB51E5D09AD07982AF499E7B793EEFA9
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/matrixelements.rst.txt
FileSize8681
MD5ED9B9AF04FE4608D5AAB0DDE57747CA6
SHA-10C582737BD77888EBB791DA0C2962A442D2C798A
SHA-256DE019C6CE9DF2F5606ADCFDD94ABA93897DBCF02B214C498C3E64ECFA843E14F
SSDEEP192:wJ+HsOY6/Q/TrNCn2N3SipuhCzJyNP9SNMd0q0:wJ+HsOY6/Q/TQn2N3ReiJyNPcd
TLSHT1850283D43D4A1A614539C4A3638661E6FB27D6BF8074D067B08C82DBDB3963856EFE80
Key Value
FileName./usr/share/doc/libchemps2/html/_images/polyene_scaling.png
FileSize35238
MD543CA0A366F2F50FFC0D07389B52AEA9B
SHA-10F46C8DEFCF73C34CD3FC90BAD3786A91EE8BAB3
SHA-2563D782B7CFC912B4496EC23541701A716DC54975BC08E425BAA51D067D852213E
SSDEEP768:+dYp3av4pfn1KLfCVIGGMKlXaMxz+XDCmC40OLQrb6A2OgtNdfRO:+d244tWCVIGbKlqMdUDCmCKE6AZY3O
TLSHT1CFF2F18990D6DB72C1533843EBEDA14ED1733680362F83689932B6C4D3D0FAD9A2E543
Key Value
FileNameusr/share/texmf-dist/doc/latex/sdaps/html/_static/sidebar.js
FileSize4803
MD59C896788FC2F3E5004889C5BB47814C0
RDS:package_id294776
SHA-112918B1090C0248645CEAD2EC5414705BCE57B80
SHA-25673AAD3BD47B163F696FC4F1EB942293F818BAB54C34F60C9042A191BFD3AB5D0
SHA-512D89587D16E431E5DF70FBBBC89744CC9535CA81D91D23ED9CCF53AE1F4998EDEB3021091393DFC09A4929B52C13E292231C49FA1A4878DC4079C7A4BAFBE521C
SSDEEP96:XvJmvl3JA1mWYXkJDUTHDRJWP+ivLkHWvhiV8Rzzvx5VGsS2I/vz55QLVd2m2kEH:XRmvl3az7JCH6DwQq2myJ2YO
TLSHT11CA1FF6931A63225593720BF47EF90B0262D4C179212D7293D4DD29C5F80B1DEA7EAFC
insert-timestamp1728966873.5070956
mimetypetext/plain
sourcesnap:BGQQRfubOLyZeGs8cVDr7t73LOBkOhGr_14
tar:gnameroot
tar:unameroot
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/caspt2.rst.txt
FileSize11546
MD5D3E2AAC5E4E5582017A6A3217003BC25
SHA-1134C30193C880CD56A250C4957360AE373670D79
SHA-256F7594084921DBEB48057400EEACB8133FB08C18EC52787F48283254BEB68E778
SSDEEP192:wJUbEsJkeE8gDet7HiHFsgcKsyjyw55DwWZzGHPhkXegXyWG/1gIS0RKqFhy1Z:wJUbXjKDeNiHFs/n8FwH5iu9/pS0VFhW
TLSHT1EC32A73E3EA81A712607036364D723C2BB9CD0E7130EC97575A86520EBA1E5941BBBD7
Key Value
FileName./usr/share/doc/python3-chemps2/copyright
FileSize1275
MD5A47032B036057A68F3B569A65362EBBF
SHA-11C81511F729C2005137E79F1C79E86A05009A46E
SHA-25607005F11E5E0B672C53309C56F0770EF1F4EEA00BF459EBE81AB90AFC0FC77B4
SSDEEP24:gttrcLchJLRULwNkRhELVyROkHAITbVS2yOnAyjnm+:WXVGoyvHq+nxi+
TLSHT1AE21205E5290C37E554013C6785295CAE326A27374B8D192640DC39F970AB3B23E24E9





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