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	A9A2DB01233D4A210F261725AE9F60E3
PackageArch	i686
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	5D5202B1A191C03C06255B7CDAAA43168A679489
SHA-256	3E57E13AE027DCB94C2636B946A82FD499555807FD03A233CD12D9FD17D0D9E5

Key	Value
MD5	29C1CB79C7A143CF8DE2C4E6144DB490
PackageArch	i686
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	CE502F857252310094CA54112BFC01DC5AD66EB1
SHA-256	70FF413D9537FDD17DE0D4F8F86B2F0F08B19B66B881ACFDE25A704A2A1117B5

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

Key	Value
MD5	9F26708BACE3A2CC7573CB99835FB5C7
PackageArch	i686
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	D1A14F5F7F8CF0E0E7E7419635427A68550774A9
SHA-256	D644B01B49019856208C48EBFA5DBE5399AF5F044E494876B5DC44D9863978A2

Key	Value
MD5	A5326F6B574DCF613F5F336CDF91F570
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	11.fc34
PackageVersion	1.8.9
SHA-1	2A397250CDD96CDBE463D05367CABB873DA811CC
SHA-256	97BBF9E4B9CA0F9E116D627BBDC446FA014C52BFE361F704455165E33597A1D3

Key	Value
MD5	470BC5829345D29E30C0067B35E53807
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	6.fc32
PackageVersion	1.8.9
SHA-1	3DA6F91202A8F68E8B9BDFFB6F79EF3276D4A12C
SHA-256	FDC80E71797B77A57C688B952829D3FC49B51DC40CBDC2A9405729B7C27D626F