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	336478F837D29AE6AB1C1881F04F2754
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	10.fc33
PackageVersion	1.8.9
SHA-1	9BC68B4D27E01A53AD1081EFD68AC2EED797C74F
SHA-256	88E21F80B68491E28AD4CA37D177FC84449280BB616337F6A699E37D20499168