Result for DF997C8398ADFF725529BDC051B2A271AFDB6C8D

Query result

Key	Value
FileSize	79012
MD5	99875F6807503928808AA5974370279B
PackageDescription	Python 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.
PackageMaintainer	Debichem Team <debichem-devel@lists.alioth.debian.org>
PackageName	python3-chemps2
PackageSection	python
PackageVersion	1.8.10-2
SHA-1	DF997C8398ADFF725529BDC051B2A271AFDB6C8D
SHA-256	FDB69E5C12F23E2553DD514BC38E16A8E68389EE1E5739D7C6C12BE749AABB9A
hashlookup:children-total	5
hashlookup:trust	50

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Children (Total: 5)

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

Key	Value
FileName	./usr/lib/python3/dist-packages/CheMPS2-1.8.10.egg-info
FileSize	796
MD5	C1647F3E0BCE7A87ADF89A329C47C5C4
SHA-1	0370E9FB43186CADE329A459CE3F8416E9A40795
SHA-256	4E2B6A9BFACD8F54B1C7E37BD48F95B477D91BD5D0F4E4D6A8C7E31D52DCCBA1
SSDEEP	12:DOE2Okk+RhsFJyBrexIlXV0V3W2B3BQSZZ9VkNd5yh27vjhjPQIqAL4/Bfti4Z4q:DQ6bJyNTlk+l04RQILkZftDSqR
TLSH	T18201B11A38D18CF95F6305815645E746486787136E8C78AD38F9530EEA22FB193BC07E

Key	Value
FileName	./usr/share/doc/python3-chemps2/copyright
FileSize	1275
MD5	A47032B036057A68F3B569A65362EBBF
SHA-1	1C81511F729C2005137E79F1C79E86A05009A46E
SHA-256	07005F11E5E0B672C53309C56F0770EF1F4EEA00BF459EBE81AB90AFC0FC77B4
SSDEEP	24:gttrcLchJLRULwNkRhELVyROkHAITbVS2yOnAyjnm+:WXVGoyvHq+nxi+
TLSH	T1AE21205E5290C37E554013C6785295CAE326A27374B8D192640DC39F970AB3B23E24E9

Key	Value
FileName	./usr/lib/python3/dist-packages/PyCheMPS2.cpython-39-i386-linux-gnu.so
FileSize	283452
MD5	EFBDD106467F564F4E2BFE912FCED1D4
SHA-1	F172290480CE510597D41BBF335FA0E6B0F2CA6B
SHA-256	F535A643781698163DB66FCA32F37EEFB32939AEA85505AB4507975D95EB5E77
SSDEEP	6144:21sZ1CnrpzwYjmQSdDSO8eu/Q3LkElu7vq:IzwY6bdDJDu/Q36v
TLSH	T15B542A68E792CAF0E27348F122835B3B1521691560B3DAE7FA893B8734B11C17E39775

Key	Value
FileName	./usr/share/doc/python3-chemps2/changelog.gz
FileSize	1494
MD5	FF3A5CC3749799E00FB1980F06CB8661
SHA-1	81F659CA1CFC028B8024279B28F219C577F0E22F
SHA-256	8AC6E7549001BA529087B0950B383186C50F0FB8157BEBF84327764507B9B01E
SSDEEP	24:XfNeiyqD9QpOlUG74BNwO77GNsrooBmg4Q0qSKHbrJwThQ++SIil1lem8OYG0rUZ:XfNeid9QolH74s0GKcoBEErJwFFlezyZ
TLSH	T1CB311C0405AD266918A07D349ACE3EF8F5BE0AD131FC4DE2223B6C5768C4205454DE5E

Key	Value
FileName	./usr/share/doc/python3-chemps2/changelog.Debian.gz
FileSize	2195
MD5	EB417D3AD38745A720FAFC3D287E12FE
SHA-1	C3D06B4D573A63C798F971EB708CF844B75614A7
SHA-256	E4B333ED7DB8C1177FF4B7A0AE01A54CEB8DE91970740A1EB4EA8E896D791E37
SSDEEP	48:XH1xhO5UO1stWMtCbnt/EF9KC4bzJp+BZCz4WhfRQTtti++Xn:33h/fCntcTKtH+DCDTyf+Xn
TLSH	T1F84139098ACAA032DED117BC29E69C5D3A080466F60942DD0BF70E33AA0BCC805D887B