Parents (Total: 6)

The searched file hash is included in 6 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

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

Key	Value
MD5	FF38FC886426546BE36B7BD6F78318CC
PackageArch	aarch64
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	B4F45EE407F302950C485F529343494C359AE6A8
SHA-256	98E47194E5B7628C5C078EBC54F73A45366B8B9F5DB9E6DEBC4241F1DF675F33

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

Key	Value
MD5	09578D81BA2FFC153A43C14B04087FF5
PackageArch	aarch64
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	015255AFE0D7BF69DA7A1B92C36D444B34BE5FB0
SHA-256	5F8C43861592D7BB60D3DF4524CF55B61B23ECFF802F66E490E2E5359A8BABE1

Key	Value
MD5	AEC51B4F067388F4A940E350450E79A4
PackageArch	aarch64
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	6B027A6A0B1498372230685407B5B28FDECC6AED
SHA-256	939C4DB8B8614F556A2525091A6F166E6167DC068B75841C3592C97C5FA55B85