Result for 87D57456214D292088763CBBAFF83B52AF5AAC4A

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Children (61)

Query result

Key Value
FileSize510086
MD515BE194DB1CBD26CD4261B5845F2C2F8
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
PackageVersion1.8-2
SHA-187D57456214D292088763CBBAFF83B52AF5AAC4A
SHA-256F4019B5F7BE04B5AFBA922CD030F271A77191070EAA6E2DFAC367DEDC3A192BC
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/dmrgscf.html
FileSize15664
MD517F9857BB69C761C99FA5ABAD3B472EB
SHA-100A784BC02353F90D28641E3BC3EF186E3C013B1
SHA-2568E3D1B43606CA5612EA990FAF6C915A81BA8FDEDD49128D626D10A80797C39DA
SSDEEP384:7F9rnjrtoGao/vHx2NKzrZm8bGNa/gKBv79A4vUI3+lpcRB8e9hSJaVqn/T:7/vtowBrlm8bGN6j+42lpcRB8eTCakb
TLSHT1D662F8A165D806334A13D3E9B5A9BB18BDC28497E3006804B1FD4B9DC7D2FB1A70BB47
Key Value
FileName./usr/share/doc/libchemps2/html/genindex.html
FileSize8215
MD5A999DE74BD0B20FB96BE13E5B83803B7
SHA-114D9E9C0CCC77918F4274779BF64D6973B140815
SHA-256020342F7D70D9D4B6447EDB8C5EC69A2BC5FE15398D0A9EA7654F23B9722832E
SSDEEP96:cTffF9M3qiWl+faYSVjBoptbfAmxx/ymvtGVhLHLdhrLmiDHpQrnQV9bWlR:23F9JiAhl9QGbLmGbAR
TLSHT1A8024080DDE4755969A2D2B8A5E07D3D2EC3C15BA3412C18306D54FBAF82F50093FAE7
Key Value
FileName./usr/share/doc/python-chemps2/copyright
FileSize1292
MD5B1B9D31A73F20335392F4D524BEAAA8A
SHA-115E1395D41961B7F484DE7CA284B841CB986B1D1
SHA-256BFAE04B1D41E1D5D07DFE0D0CA6DFBBB6F7AA052E9D208206E9CFE9E50972CEF
SSDEEP24:g0trcLcMIhuELRhELwNkRhELVyROkHAITbVS2yOnAyjnm+:D9u2hGoyvHq+nxi+
TLSHT114210E5D5294C27E554013C2BD9295CAE32AA27374B8D092644DC39AD60AA3A23E24E9
Key Value
FileName./usr/share/doc/libchemps2/html/_static/comment.png
FileSize3445
MD59EC82C31D74E79662EA7CF63A630CBF8
SHA-11A3E278C29F188E17A99F3324D4123E7BDD02A13
SHA-256671103D3624DAD565A901AD3BAB5BC70EF5F13852E8427C01AB13F5483B23D43
SSDEEP96:kZ/I09Da01l+gmkyTt6Hk8nT+ShiVkhzHc:kS0tKg9E05T+ShiVkJc
TLSHT112619FEE97A0909FF99E72120D8C0282D368121C5D5B2B78C9D1D0CE106ED46FB625F8
Key Value
FileName./usr/share/doc/libchemps2/html/_images/ExtrapolationN2reorder.png
FileSize11679
MD57693901BBBD7BA53505D5357FB1057F7
SHA-11DEAC9EE3DA78D396F35CA40644200C0F35D72A3
SHA-2562A3DC2FD2C7BAB1530055D1E58CB3EEB9B0121A1E0B5922AF91B7A045B15C38F
SSDEEP192:am3l5ZJLENGkmhzWkSpXnYbklY1xTtzRs7doLDBeZAaasKNgkQB6ZlZdNou28kk+:V7ZJg/kwYbkitzy7dzzatgB6ZD7onQsz
TLSHT10B32B0EA03CCCCEDE702994B8F66770F11559D229C6F44C5ED0E7DD1C6C6A466C69838
Key Value
FileName./usr/share/doc/libchemps2/html/inoutput.html
FileSize35637
MD53C80D42777168625A4673D473A4AAC95
SHA-125C1647B6F3184FE825AA873401090DEDBED47AD
SHA-2560A7DDE139C0C4A5CB3C7D1F419F5450CCEFAEA7016A0FE0109DFA62501BF923A
SSDEEP768:wFeszL/BzRSNIQryHxdnomIoztO45lwOzI0c6TYrMSfT7yexp/1BYW170ysj:wFhzL/BzRSOQryRdnomIoztO4IOzIX6f
TLSHT11EF274D1A6F69533453381D3A6EF0F66B1E1806EE5950104A7FD43BC83EDC90B827E6A
Key Value
FileName./usr/share/doc/libchemps2/html/_sources/caspt2.txt
FileSize11502
MD5B2A08ED290E4B6878F9A8A239FCB1E9E
SHA-12611C50905EE1B9FEB63977272B937D78A1166B2
SHA-256E39C8E319411DDD5D3338DB83B9DE5654D088306E98825BEF0962D6D9C4BDE8C
SSDEEP192:6JUbEsJkeE8gDet7HiHFsgcKsyjyw55DwWZzGHPhkXegXyWG/1gIS0RKncFhy1Z:6JUbXjKDeNiHFs/n8FwH5iu9/pS0/FhW
TLSHT10032973E3EA81A722607036364D723C3BB9CD0E7130EC97575A85520EBA1D5941BBBD7
Key Value
FileName./usr/share/doc/libchemps2/html/_images/multi_node_h2o.png
FileSize24403
MD57063AFF135349520BF36A7264CEFD4A9
SHA-1262BA7DE72FBBD40390389AB133E987497041820
SHA-256F69E4742C0D085171012BB1715B24B532B605DAB6123B55E9170D3BD9DA42566
SSDEEP384:P5C35t9MF47oIKaoYPTovSOkliGJkNXYAb5a8e4B2zTcoG0P3p0pNl/ybutGFuvm:hctaF47LVoYrovSJWiq544B6/fx0l/yD
TLSHT1B0B2E1AA0082AE43BC358DD39040D8AECD44B98657E5E7E260CA24CB0BD66325CB0E4F
Key Value
FileNamemethod.txt
FileSize5650
MD53B231FD055BDED97F879860B257A42A0
RDS:package_id182052
SHA-1277533917361245F661B8F96A9BB0252AF1339ED
SHA-256593573135709311EA7C7B693DA9D805A0816E1F844D0943C41917B598A0776B4
SSDEEP96:vyNTuGUUpqSkqSM4CFOzn5GL+DNF+EyM4k56W1YqVq7qQqEscafFEJH7TRlGEbWm:6Jr7oIA5WTRVsmqVq7qQqEQEJfRlGJa1
TLSHT136C1409A3BE807F6232B02D539B527CBDBA90B7503CD409A93170A1DE2035B8C75E94F
insert-timestamp1679423669.7809927
sourceRDS.db
Key Value
CRC3221287BCD
FileName./usr/share/doc/ECM/html/_static/classic.css
FileSize4146
MD520577AACE53A0034AF20EFE7C0BC6C32
OpSystemCode362
ProductCode183719
RDS:package_id222721
SHA-12981E2842006182FF633A08048BE1B1E5F6C4322
SHA-2568F3EB50D3B4A07CB1ADBE1320A2E68CAE84FA1522BB05D50D196B29113C328A7
SHA-51218BA3E6D6AEC5B9191A5C6BFA4B771CC2EF5AC2AC0A0922D9159F23108C498205C9BA64F8DC2F768AA4296B2B3E285A5EFFE9F19D4D9D45F3B4E1BC98294E200
SSDEEP96:xPHL0etfyE/NixJvPtbt/G+cGGN5VbqRj4eCFFxIow92odk:Nr0etft/NixJnpY+cGGfbqRj4eCFH+9w
SpecialCode
TLSHT1AC81CD06DEB30D43720BC5AA26FAC750F26C60434C4DDA3D3E59A6A48F481A452BEB8C
dbnsrl_modern_rds
insert-timestamp1727103304.4825697
mimetypetext/plain
sourcesnap:B2NNyoIER5ZKDrHUKyAegEnDHHFv8ct8_3
tar:gnamebin
tar:unameroot





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