Result for B06D542C7CEC81BF19C2ADD1B1A605C1D0EE0CB9

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Children (54)

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Key Value
FileSize502316
MD55708C7D6E8A657CC9B84C3E4F858B7E3
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.
PackageMaintainerUbuntu Developers <ubuntu-devel-discuss@lists.ubuntu.com>
PackageNamechemps2-doc
PackageSectiondoc
PackageVersion1.8.9-1build3
SHA-1B06D542C7CEC81BF19C2ADD1B1A605C1D0EE0CB9
SHA-256A22DD12B2AC6DFBDC47760DA7BEE29389EF5566232CE221A9B6466A546C9F7EE
hashlookup:children-total54
hashlookup:trust50

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Children (Total: 54)

The searched file hash includes 54 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/share/doc/libchemps2/html/_images/ExtrapolationN2reorder.png
FileSize11679
MD5BD3C01F9E5A09BF0630C947291407202
SHA-1005104D5CCF9EC7E6B81BE8F68206AE24E2EB19A
SHA-256D1461FBDB5CC895AA07D9098EEC670E3F6C169B87B1873E6135EFC7CC8D52406
SSDEEP192:am3l5ZJLENGkmhzWkSpXnYbklY1xTtzRs7doLDBeZAaasKNgkQB6ZlZdNou28kk6:V7ZJg/kwYbkitzy7dzzatgB6ZD7onQsn
TLSHT1BD32BFEA03CCCCE9E7029A4B8F66730F25959D229C6F48C5FD0E3DD1D6C6A426C59838
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/_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/_sources/caspt2.rst.txt
FileSize11546
MD5D3E2AAC5E4E5582017A6A3217003BC25
SHA-1134C30193C880CD56A250C4957360AE373670D79
SHA-256F7594084921DBEB48057400EEACB8133FB08C18EC52787F48283254BEB68E778
SSDEEP192:wJUbEsJkeE8gDet7HiHFsgcKsyjyw55DwWZzGHPhkXegXyWG/1gIS0RKqFhy1Z:wJUbXjKDeNiHFs/n8FwH5iu9/pS0VFhW
TLSHT1EC32A73E3EA81A712607036364D723C2BB9CD0E7130EC97575A86520EBA1E5941BBBD7
Key Value
CRC32B0425448
FileName./usr/share/doc/pyzfs-doc/html/_static/language_data.js
FileSize10847
MD56B3DDA6636CACEB3AA0785065EE3CB39
OpSystemCode362
ProductCode239659
RDS:package_id289536
SHA-1148683D203A3E8F6B644CE5248DFB8F369F5C0C2
SHA-2564CD39856438B0EAE2C0155AD15E281513959F7CCF998784E83E803B9BE5B1B47
SHA-51276062BEC87D92D1D5C345F97300A913AFDCA1B8E2164DE4629D7A17FB4D756945E42A01F4C927873D99DBB0EE69E1117831B82CA6E8799F0F55CA6E848A123E7
SSDEEP192:JAYTjIOZHlMpwh93Q9ZQiiicaSE99gZ9s91FT9fqc39kQ9QcVfjHiemQqKIpJDek:JAMl3IFpHpm9ter2gHZ3q
SpecialCode
TLSHT1F122311C0C8F04A5661BB54D4FCF444E9AB56D275A1CEA14BAAE479C6F0C8EC03F26ED
dbnsrl_android
insert-timestamp1727098323.917193
mimetypetext/plain
sourcesnap:0oZietUv4HBZqnYAVhtPwewC9Y3oHM4s_19
tar:gnameroot
tar:unameroot
Key Value
FileName./usr/share/doc/libchemps2/html/dmrgscf.html
FileSize16409
MD5ED4480CBC5445B47AA399E6C534EEE32
SHA-11AAA19C4DF8B6186F2361BBB058E5D4D2D7C0AAB
SHA-25601DEB88FF96996A81A4A7AF40602EAA0B6418EA6674A7C8ADE596640D1889AB5
SSDEEP384:1Tnj0toGao/vHx2NKNFXmK1gbmlgKH9NzG4Bq+3KlpcRB8e9hyJa56n/q:lAtowBhVmK1gbq/a4UlpcRB8eTiacy
TLSHT15C72D8E155E80537092383EAF2A9EB58BEC68497E3425804F1EC569F8792FE5630F713
Key Value
FileName./usr/share/doc/python3-chemps2/copyright
FileSize1275
MD5A47032B036057A68F3B569A65362EBBF
SHA-11C81511F729C2005137E79F1C79E86A05009A46E
SHA-25607005F11E5E0B672C53309C56F0770EF1F4EEA00BF459EBE81AB90AFC0FC77B4
SSDEEP24:gttrcLchJLRULwNkRhELVyROkHAITbVS2yOnAyjnm+:WXVGoyvHq+nxi+
TLSHT1AE21205E5290C37E554013C6785295CAE326A27374B8D192640DC39F970AB3B23E24E9





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