Result for E8889655DF4E7A5E1CB018C7A30678D6620141EB

Query result

Key Value
FileSize66124
MD51D309334219810855F05FE1CBEB5D3CE
PackageDescriptionPython 3 interface for libchemps2-3 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 package installs the library for Python 3.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython3-chemps2
PackageSectionpython
PackageVersion1.8.9-1+b2
SHA-1E8889655DF4E7A5E1CB018C7A30678D6620141EB
SHA-2567FDE170691E5160267B7D40332C37A4D42C5B2E1A084A37EF3098C725C14A817
hashlookup:children-total6
hashlookup:trust50

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Children (Total: 6)

The searched file hash includes 6 children files known and seen by metalookup. A sample is included below:

Key Value
FileName./usr/lib/python3/dist-packages/PyCheMPS2.cpython-37m-mips64el-linux-gnuabi64.so
FileSize355528
MD521255F0CDB69C02428B1ED0690176CE8
SHA-19A41C8D2240C5571AB006EC0A09ECF00D1D1E689
SHA-256DC4326C7237A2D189CCB5261266C814A73D008D35B14E3374830495032DBDFC7
SSDEEP3072:lZQbfTW0lTbPh4Cd9KlW1j7BGyl9e+Exnh8Yl4dte:EFlPh4Cd9/jBII2
TLSHT19C740AE59B410D17D4C88EBA9727E0B93A1C4CFD613199A21D7CF97E512FD8C0BA6883
Key Value
FileName./usr/share/doc/python3-chemps2/copyright
FileSize1275
MD5A47032B036057A68F3B569A65362EBBF
SHA-11C81511F729C2005137E79F1C79E86A05009A46E
SHA-25607005F11E5E0B672C53309C56F0770EF1F4EEA00BF459EBE81AB90AFC0FC77B4
SSDEEP24:gttrcLchJLRULwNkRhELVyROkHAITbVS2yOnAyjnm+:WXVGoyvHq+nxi+
TLSHT1AE21205E5290C37E554013C6785295CAE326A27374B8D192640DC39F970AB3B23E24E9
Key Value
FileName./usr/share/doc/python3-chemps2/changelog.Debian.mips64el.gz
FileSize241
MD5AA9CD90462D0CE59DA088F1D282F127D
SHA-144DFB25B431463A099437571D49A248681E74CCA
SHA-25603ADE7A5FDE0AFD6B9B056C426A6412E8CC52268D57A715D5BC0133285403811
SSDEEP6:XtaXX6W8McIN8u4FeJ7YGy6CN8vW1/Ua96RqA1Ok:XAXXBBBN/ikPW1ZYMA1Ok
TLSHT1EBD09772384D7AB8CA421AF877DA4020B110FBE0A40188BE21F59CB922284B22704164
Key Value
FileName./usr/lib/python3/dist-packages/CheMPS2-1.8.9.egg-info
FileSize795
MD5CA0D1F29D05F1838FC84E854E3605D69
SHA-14B94AC526D50B3BF9583CAF79A50D1B530DD9584
SHA-2567DE707265EAD0E14D5C4030C4E2E66101A97045983F7DD80AFE7DE1BD8EC21BF
SSDEEP12:DOE2Oak+RhsFJyBrexIlXV0V3W2B3BQSZZ9VkNd5yh27vjhjPQIqAL4/Bfti4Z4q:DQOvbJyNTlk+l04RQILkZftDSqR
TLSHT1DA01B11A38D18CF95F6305C15645E746486787126E8C78AD38FA534EEA22FB193BC07E
Key Value
FileName./usr/share/doc/python3-chemps2/changelog.gz
FileSize1494
MD5FF3A5CC3749799E00FB1980F06CB8661
SHA-181F659CA1CFC028B8024279B28F219C577F0E22F
SHA-2568AC6E7549001BA529087B0950B383186C50F0FB8157BEBF84327764507B9B01E
SSDEEP24:XfNeiyqD9QpOlUG74BNwO77GNsrooBmg4Q0qSKHbrJwThQ++SIil1lem8OYG0rUZ:XfNeid9QolH74s0GKcoBEErJwFFlezyZ
TLSHT1CB311C0405AD266918A07D349ACE3EF8F5BE0AD131FC4DE2223B6C5768C4205454DE5E
Key Value
FileName./usr/share/doc/python3-chemps2/changelog.Debian.gz
FileSize1999
MD52C9923C4A1CEBA62F5A0194D652A2CE6
SHA-1B3AD18ABEB37CAFD1DD1B56A20EE30299EF8A4A6
SHA-256FC584561F6988B5D6C22C0E26D06E5E921B05284D07505577806BAE4B97B2519
SSDEEP48:XqAzQSF8jDK51CjZiY+asP7PZ1q6guA6z9D6XSQ6+Zh:6AIDJ9oPLZUuvhD6XSRoh
TLSHT151412AD7D08B586D4394BE3A1BB00225BE3C4DCD96FB9567925922CF1A28E6B35BE004