Result for 508DE2539415AE046720049505D116B3B94DEF74

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Children (61)

Query result

Key Value
FileSize510676
MD50609D29CBA8C2A4ED2C1093F85B5AF13
PackageDescriptionDocumentation of the libchemps2-2 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
PackageVersion1.8.5-1
SHA-1508DE2539415AE046720049505D116B3B94DEF74
SHA-256A93AE1D3A5EE30C00B836EC62476A787037EB31BAA2558138C9BDA61270E3188
hashlookup:children-total61
hashlookup:trust50

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Children (Total: 61)

The searched file hash includes 61 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/share/doc/libchemps2/html/_images/ExtrapolationN2reorder.png
FileSize11679
MD585817155DC94B2C62E56BB080C9B861E
SHA-10003AC4149062513221D9D5F58E0F539F699CE61
SHA-256C4A28830A8A8A10ED0F2E9168A4436C815F043ABB21ABF7142078EF0D9FCA297
SSDEEP192:am3l5ZJLENGkmhzWkSpXnYbklY1xTtzRs7doLDBeZAaasKNgkQB6ZlZdNou28kkQ:V7ZJg/kwYbkitzy7dzzatgB6ZD7onQsV
TLSHT1CE32BFEA03CCCCE9E702994B8F66B30F11959D229C6E48C5FD0E7DD1C6C6A467C59838
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
FileName./usr/share/doc/libchemps2/html/matrixelements.html
FileSize24508
MD5D807397FF90AF6728B17DD754055F0D7
SHA-115AE2C54FFF1EA9714D6DD60434A6CD49136F73C
SHA-25629621CE0E08CE2DB4DF92044322F1C2530AAEEE3EE74F7B057B8B6E9357E1C8F
SSDEEP384:EFZ9Ynqk6tRWYvqNgEtl/9TRe0T8B2sz1xr3f0suzyDB1g0OLSAN/wCZJ7PYVT31:ExYq1tRWEqNgEtl/rT8B2sz1p38suWDx
TLSHT1C9B253E195F68537453394E3A6AE4F3AB1F6806ED1810400F7FE87BD43E9C847817A6A
Key Value
CRC32C2A12E39
FileName./usr/share/doc/python-xapian/html/_static/down.png
FileSize202
MD524B6890F892EAE0F6F71DF68C0DEBBCE
OpSystemCode362
ProductCode239659
RDS:package_id298663
SHA-119135047EFABD21046D58FE130D8D77D77AB28AD
SHA-25675FC30AB04AA494F8AB239FBA636663B950CCFF763BD3B95A3C214EE2344EC89
SHA-512F26F2610C157C2D9BAEBE69C9EB96E5A4479960F35947F06B4F5B0E8BC32123E8043941505D638F307219E1E7470895C5A97920DA34E4FA14B951570AA04D3D2
SSDEEP6:6v/lhPO6/KyL82mQqOHq9ElvK9XWhKTvXZsUZMUhaneup:6v/7P/x82m0LWWhKTvXZrhanec
SpecialCode
TLSHT1F8D022E766C0B9B8F5CD0623764C2112F43860CA258480B40D0B259C1E1926D60F1C49
dbnsrl_android
insert-timestamp1728262631.1557963
mimetypeimage/png
sourcesnap:2V9w8kYOtxYW5wN1bXWwQ1dllTmnzKiS_13
tar:gnameroot
tar:unameroot
Key Value
CRC327BA34365
FileName./usr/share/doc/python-xapian/html/_static/doctools.js
FileSize9152
MD59172195F816A1DAF11A0CF9937D5692B
OpSystemCode362
ProductCode187301
RDS:package_id298663
SHA-119E867880A5979CD5DEE3361897799AE992737F6
SHA-25649431D9138CC502813E938E55F705A978066A6B3277C26D749D118F250E18792
SHA-5124C5134B79A264CB2B74B7BF92734F0C662390AAE06E9C7E1656B84082C963D3AD188B4F205D4A8254DE7B7AC71BABD8CBA8F45D8CF21E4C2269154D2676D8281
SSDEEP192:7A+pDEMgmTeH9hnnWI/LJ2zSZnaipQl3RyoNz1grX8YRil6NzjBQ/atkAl88Tyax:kseHr9LtI7gNPBs4jB
SpecialCode
TLSHT11C12639CBCF7216696733576A7BF9148767A045B3018E980789C46901FA0E7813BEDEC
dbnsrl_modern_rds
insert-timestamp1728262690.6374269
mimetypetext/plain
sourcesnap:2V9w8kYOtxYW5wN1bXWwQ1dllTmnzKiS_13
tar:gnameroot
tar:unameroot





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