Result for 27F291A50A341E3AD854E47C4FC5AABDB2E64388

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Children (63)

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Key Value
FileSize513468
MD50D6B0B96DC5D1AAAC1DB3D86B93EB2A1
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
PackageVersion1.8.9-1
SHA-127F291A50A341E3AD854E47C4FC5AABDB2E64388
SHA-256FEBF1AEEC1D19D7001291CB9CDA66D3D68F586453F35167178D428441E3C3FE0
hashlookup:children-total63
hashlookup:trust50

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Children (Total: 63)

The searched file hash includes 63 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
CRC322994D00B
FileName./usr/share/doc/libjansson-dev/html/_static/basic.css
FileSize10716
MD515D1E868D422EE4310EA0F7C9673E511
OpSystemCode362
ProductCode202888
RDS:package_id263918
SHA-10301E1C6EB69EFC045769357C0CE71F113BD0905
SHA-256B61FC4383784CA3FF8589A1BB48D19D06FDDC78D6120CBC9AD31F275F62F4CCE
SHA-512A8271A032D4B3A072799C09225AF1CE092FF548866E82654608FB6D1B4DFF7611B1EFAF79952DE5352AFA2E6DB7EDF29855574584DE9736439A6AFB32D0736F5
SSDEEP192:MfhSd4okIES4yJk+KdD4FA1jraTQtZvErKR1jWRZ4Enx+ociFaao2wBWApJEtULe:rd4okIES4yJk+ED4FAZrcQtZvErWWZ4o
SpecialCode
TLSHT1412251155EF31C22E98AC667BAFDD661F25D00530E4EC87D7E582358CF4579881AEB0C
dbnsrl_modern_rds
insert-timestamp1659221326.3719895
mimetypetext/plain
sourcesnap:frGDfj3qOH3kiCeCe7L0ImjFLxK6uBtw_4
tar:gnamebin
tar:unameroot
Key Value
CRC32539E4F4A
FileName./usr/share/doc/packages/python3-mysqlclient/html/_static/doctools.js
FileSize9224
MD5943DDDBDAEEA66CED528C36F602F933F
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SHA-10398899F15362D8E30539B302D13F005F0CE1B0D
SHA-256BA5080DD83BFBC09C8440ECC3E163B7352073F7428A92FACB9DFCD04BA29188B
SSDEEP192:7A+pDEMgmTeH9hnnMfw/LJ2zSZnaipQl3RyoNz1grX8YRil6NzjBQ/atkAl88TyE:kseHr/LtI7gNPBs4jB
SpecialCode
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insert-timestamp1654960963.6200848
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tar:gnamebin
tar:unameroot
Key Value
FileName./usr/share/doc/libchemps2/html/searchindex.js
FileSize18573
MD510C52ABF1B77D8840E4AF3DE446889E2
SHA-1051A2F55CE53A633A8B3B844C71771342082A7E2
SHA-256760D2BD60BE3926FA673930882681750EEAC2A8D2069B184F410019E9B87D309
SSDEEP384:P6TFhXiSnbKx47FQZvvU22dJsJmQz/5K62zvThpNgJ+5NgUMzjwz8P0NzaQgAsfn:P6TLSSy47WZvvU22daJpz/5K62zvT3uF
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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/genindex.html
FileSize8196
MD5D1BC3037A37E471B422007CD4E564238
SHA-11676FDF4AC648283A0C0645B3651120D841F0718
SHA-2564007CF053630809C428986271FD42B7CBF6673C27053F03EF7FE850C1E52B27A
SSDEEP96:ZWBVQiWI+fIYStjNMpnbfSqxJ/6qvfG1hLHL5h1Z22Dlper3Qv4rWI3:gAixtlFWGBZ2Lrx3
TLSHT11E020080D8E4E816419192656CE07E7C3E87927BE3453918716D987FAF82F900B3F6DB





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