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	4B98DEB6F6937D20A02116E9E3DAD79B
PackageArch	armv7hl
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	5E3C8140646E7AA098D3657EA6EF5B0722D7974C
SHA-256	B3E501A9D5CB52168D6BA9C6D462DAD94D55883FDCED850B527B5329F3D3D24C