Result for 41A62501DC7EE7107D54E3E57D5DCE4677AC07C3

Query result

Key	Value
FileSize	72168
MD5	F2D5812E2B2C74BC07F9507346959756
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	41A62501DC7EE7107D54E3E57D5DCE4677AC07C3
SHA-256	02533651D616AB7163F22A3F07CA46120C3587FF5A855E2284ACD150C4A9C08A
hashlookup:children-total	5
hashlookup:trust	50

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
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-arm-linux-gnueabihf.so
FileSize	172364
MD5	9B21C7403D0054D80B4D3EB6F805E658
SHA-1	83F80833D4D2AF664AAB0F9CE5B6933CE19358F3
SHA-256	9FF6416503B8AC7CFFBF0243BE10E630C21B81A4C4DAC2E1B9B9D1B783EAC2B0
SSDEEP	3072:4aIj5JNxXybVt2mN3+a8vuhxYAg1g9Zc7/gv+89UijJ3S:oj5ZXY2mNux2H2g9GVSd
TLSH	T120F3AE98FEE38C65CDCB5DB338D6C88A5019AD4603E0CB6BE1904BAA6727470DD1F275

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