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	00716387ED0A7DDE792FCDB24D48C8AD
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	11.fc34
PackageVersion	1.8.9
SHA-1	2372F6F899079086A19EADE2D8C7ED4827D6DE77
SHA-256	86A168B84C6E15B74D534955DA41EBA74AE30D64FC8B62312EA730F526758A5B