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
MD5	AEA83F071B52C4FA416B0222C9263515
PackageArch	x86_64
PackageDescription	The CheMPS2 library provides a free open-source spin-adapted implementation of the density matrix renormalization group (DMRG) for ab initio quantum chemistry. This method allows to obtain numerical accuracy in active spaces beyond the capabilities of full configuration interaction. For the input Hamiltonian and targeted symmetry sector, the library performs successive DMRG sweeps according to a user-defined convergence scheme. As output, the library returns the minimal encountered energy as well as the 2-RDM of the active space. The latter allows to calculate various properties, as well as the gradient and Hessian for orbital rotations or nuclear displacements.
PackageMaintainer	Fedora Project
PackageName	CheMPS2
PackageRelease	6.fc32
PackageVersion	1.8.9
SHA-1	3528558F6F9B964F22BB0EBD99D729A9C7382239
SHA-256	2F5073C4E237F4BFF7C12154E490FD594F00D1D54F4FC106131E4C09DAA0DBF9