Result for E6AC0F2AF31B5A9576499E1B10FD54FE258CBF91

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Children (54)

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Key Value
FileSize502960
MD5F8E466E987FFA08D3DCE7BCFCBAB5DD2
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
PackageVersion1.8.9-1build4
SHA-1E6AC0F2AF31B5A9576499E1B10FD54FE258CBF91
SHA-256F7FE9411EAA38AC178C8902073E1FBB8A7C15A72E42816E8DC1A48A22D24135F
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/_sources/sourcecode.rst.txt
FileSize9355
MD54CBBF6023BB6F6AB6BEE2D8042069191
SHA-1018F14B6F96F615CAD89E783BFAFFDFC9D541C64
SHA-256987B2E9630EA45566188607864EC8CF2A177A5E5E7FC803E8535C65619FB673C
SSDEEP192:wJDYHoH919TLtWnf/Wq8ke2/4RJ8pdWbCZZs0C4SKQg6Ags:wJGov9qWqI2AL0WbCZZpCF//s
TLSHT1521296EB7F285FB416A283A5218A50D6E33AC57B42B04054D09E83DE43379F893BF6D5
Key Value
FileName./usr/share/doc/packages/mpdecimal/libmpdec++/_static/sidebar.js
FileSize4803
MD5536568F99F859FF8E6B38F2164B308E3
RDS:package_id289330
SHA-103A2A963691BC0DEB2509085EAA523B621EAE66B
SHA-2568FCA1C2442E9E9F840E8417A54B589637AE4FDA32BF39AAE3DABB44170733F00
SHA-512ED82E4BCAC23B8612C6643E93284EE350835984189B8183D087E96BF073876033CC672B5C0D8A2B9BE2140150D287FBCC669B32715F76090FB1C9BE9B75241D8
SSDEEP96:XvJmvl3JA1mWYakJDUTHDRJWP+ivLkHWvhiV8Rzzvx5VGsS2I/vz55QLVd2m2kEH:XRmvl3azOJCH6DwQq2myJ2YO
TLSHT13AA1FE6931AA3225593720BF47EF90B0262D4C179212D7293D4DD29C5F80B1DEA7EAFC
insert-timestamp1721664606.17069
mimetypetext/plain
sourcesnap:ZlXjNmnTJTV4fLWq3dnZduqSk4TVWjwd_28
tar:gnameroot
tar:unameroot
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/chemps2-doc/changelog.Debian.gz
FileSize1060
MD5BC4F11534B64E7495F887EBC7178C767
SHA-10683A1CA715D1DBE4E79A65CF2F13004174A1C50
SHA-2568A9512A3EAF9260581A5C1C2C79F9697F4375C57ED162F70525FF54E2D4138FD
SSDEEP24:XlWasCcn13+xciG4BIZd69466I9YlM7YfL2BRyOVq3e:XlJs5nuG4BCd6v6blfj2ygqu
TLSHT1EE11B95765E50513D94ABDB3C53622D0990D3423F459E278C6C10E56352DF36DDA390E
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/genindex.html
FileSize7810
MD5F04D0CF4A7D9D48880C662E452FCD825
SHA-10E185FB95B5BB55129599823D06EA89CB3FCC4C4
SHA-256FD3D4E7F7E3E809F664AB9480FD349752A3C741AB11608AD72ABD43CBAE42EA7
SSDEEP96:KWEVQiWI+fIYStjNMpnbfSqxJ/6qvfG1hLHL5h1Z22Dlper3QzXWIpe:b3ixtlFWGBZ2Wxg
TLSHT1EBF12180D4F4E81A419191696CA07D7D3E87827BE3463918316D987F9F82F900F2FACB
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/_images/handson_orbitals.png
FileSize297382
MD5ED7D342E006DE82E52F167050BAB6F8B
SHA-11633792586901DA74B1A6F72AC42BF8AABFFF6F1
SHA-256C641B98AC6EFA6ED02AA4A625C924C7023B85380181ABACA25C59EC2FAB6CCEF
SSDEEP6144:pwFcN7duDr5rM9SzfWL+IECoB0cULU/g+ugOxVs/7ALLjpkNj:pwcNsJrMcfTZKU4+2W7wp8j
TLSHT1005423D8AEFC461BF6A614710559BD04FFC3002B8B4AE47C75AEA5EB3D868E015D4F84





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