Result for 7F1A62A69DE0726E969E11DB3E523C89DC1E2D6C

Query result

Key Value
FileSize65920
MD51D866E5276C175970F7E900583B3F274
PackageDescriptionPython 2 interface for libchemps2-2 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 2.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamepython-chemps2
PackageSectionpython
PackageVersion1.8.3-2
SHA-17F1A62A69DE0726E969E11DB3E523C89DC1E2D6C
SHA-2569E10904B5D49E91DED0759564AD2FA2DCAA9AB15020C83B2E8568A68BA474757
hashlookup:children-total5
hashlookup:trust50

Network graph view

Children (Total: 5)

The searched file hash includes 5 children files known and seen by metalookup. A sample is included below:

Key Value
FileNameCheMPS2-1.8.3.egg-info
FileSize795
MD52089C2D05AC0AF4792ED1392398FF1B8
RDS:package_id182052
SHA-1078AFAB621C586688ED1F7F25C3796319BC34410
SHA-256DF2AB28FE10813548B26339E5F699D3EA10B1FDAA0DC54BC9AC2E4E14C760CFC
SSDEEP12:DOE2Fjk+RhsFJyBrexIlXV0V3W2B3BQSZZ9VkNd5yh27vjhjPQIqAL4/Bfti4Z4q:DQKbJyNTlk+l04RQILkZftDSqR
TLSHT11201B11A38D18CF95F6305815645E747486787126E8C78AD38FA530EEA22FB193BC07E
insert-timestamp1679424635.3997927
sourceRDS.db
Key Value
FileName./usr/lib/python2.7/dist-packages/PyCheMPS2.mips64el-linux-gnuabi64.so
FileSize345496
MD547C352C8C3F7D3E2AFA01A48E523FFCA
SHA-1C8E269932495DD136478DC7D0FA79670B4772291
SHA-256B263B91F0D4F87687D541B2A525995C626DBE3ED096308A1D05642C349A73C99
SSDEEP6144:uNCbJAa1zmUT3TTTTbTcTQTTTTTTTTTTTTTTTErTcTTAt:uNeJAa1zmUT3TTTTbTcTQTTTTTTTTTTm
TLSHT1B27408B8AB461E1BC1C5CDB29C2EA2EA2A2D0DD5437105236D5DB77D673F44E0EB2C06
Key Value
FileName./usr/share/doc/python-chemps2/changelog.gz
FileSize1312
MD5E15B92357A544E5E523CC449CF05CCF3
SHA-131F46B931691F74EE8B366CB3DC3AC45730B559A
SHA-256C90106B0405F5DCED198DDAD11CE785D63B2AD26D2439C257A777EC41E749B86
SSDEEP24:XxfF0zQ3CQje9460QDoI5peVb61T0A8RGeMpU64N7GpSkECJEKvOqWbK:Xx8Q33j4beVKT039Mq64ulJ7Oq7
TLSHT14E21F8830E4C8044C40F57D32E6275EE6C961CACEBB1EAD4417198D8918D6376E42C31
Key Value
FileNamecopyright
FileSize1274
MD57A923B8BF0790BE42FE4EE20BAF9403E
RDS:package_id182052
SHA-1ED8CB4E8C8CCD0F77973255CC57CF46774D87082
SHA-256026F31914237AFD756A1B06165FC45B284C009A53F7F449401DBFEB9C2960D8E
SSDEEP24:g0trcLchuELRhELwNkRhELVyROkHAITbVS2yOnAyjnm+:DXu2hGoyvHq+nxi+
TLSHT15221205D5290C37E554013C27C5295CAE326A27374B8D092640DC39E970AB3B23E24E9
insert-timestamp1679425104.1545136
sourceRDS.db
Key Value
FileName./usr/share/doc/python-chemps2/changelog.Debian.gz
FileSize1172
MD5F7C7DB591623CE568AFFD8FA3C0FADE2
SHA-11ABF37C4EBBB670645BC289492F333489B703B2F
SHA-2569281ACC0FF567408723FD5607AFAA9B9BE535FFB8C2FC9BE3B89B6E6D998DD34
SSDEEP24:XK1iFVMIIc5HfxEEp0glD5RfDlZP71GnhQlvtR9IB:XLsKfHp0Cb37QnhQlvRY
TLSHT18E210A02F21908C5DB3DD234B935D7AED4670B1F71F6A6865D72080388145283B7459C