Result for 964F837EE433A3D7FE61FCA3E3AF0E046B4AACB5

Query result

Key Value
FileName./usr/lib/aarch64-linux-gnu/libchemps2.so.3
FileSize1312712
MD5B1E11AEA5E8877F1026CD829FAF3EDD4
SHA-1964F837EE433A3D7FE61FCA3E3AF0E046B4AACB5
SHA-2566CBD3528E54144BFA3E207AA9CD05A3C794011B511EF3B337C6BEE48AAEE6492
SSDEEP24576:MyU/Z2/ig+dYJSgMsYI69xU/ziAeMi76RVi+YsL:M5xU/ziAvX
TLSHT1CD557C81B91F6977C683F77C6F558B78B53A3680E62240F72295938D9F499F4C8B2032
hashlookup:parent-total1
hashlookup:trust55

Network graph view

Parents (Total: 1)

The searched file hash is included in 1 parent files which include package known and seen by metalookup. A sample is included below:

Key Value
FileSize444280
MD5A4993FD72F7D4C871325B0DE48E53778
PackageDescriptionSpin-adapted DMRG for ab initio quantum chemistry 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.
PackageMaintainerDebichem Team <debichem-devel@lists.alioth.debian.org>
PackageNamelibchemps2-3
PackageSectionlibs
PackageVersion1.8.12-1+b1
SHA-124A9E1E41A63AA46005597EA39A68E1930F5EAF3
SHA-256BB2453A093CA6C370076696B9DC4B0DA5D11471595CB6CB7B244C0CB90CB4972