MPI-SCATCI
2.0
An MPI version of SCATCI
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Nalchemy_module | ALCHEMY integral module |
Narpackdiagonalizer_module | Diagonalizer type using Arpack backend |
Nbasecorepotential_module | Base type for core potentials |
Nbaseintegral_module | Base integral module |
Nbasemanager_module | Base manager type |
Nbasematrix_module | Base matrix module |
Nbasempi_module | Base MPI module |
Nci_hamiltonian_module | Target CI Hamiltonian module |
Nconsts_mpi_ci | MPI SCATCI Constants module |
Ncontracted_hamiltonian_module | Contracted Hamiltonian module |
Ncontracted_symbolic_module | Symbolic module |
Ncsf_module | CSF module |
Ndavidsondiagonalizer_module | Diagonalizer type using Davidson backend |
Ndiagonalizer_module | Base type for all diagonalizers |
Ndiagonalizerresult_module | Diagonalizer result data object |
Ndispatcher_module | Dispatcher module |
Ndistributedmatrix_module | Distributed matrix module |
Nelpadiagonalizer_module | Diagonalizer type using ELPA backend |
Nelpamatrix_module | ELPA matrix module |
Nhamiltonian_module | Base Hamiltonian module |
Nlapackdiagonalizer_module | Diagonalizer type using LAPACK backend |
Nmatrixcache_module | Matrix cache module |
Nmatrixelement_module | Matrix element module |
Nmemorymanager_module | Memory manager module |
Nmolprocorepotential_module | MOLPRO core potentials |
Noptions_module | Options module |
Norbital_module | Target CI Hamiltonian module |
Nparallelization_module | Distribution of processes into a grid |
Npostprocessing_module | Further processing of the diagonalization results |
Nscalapackdiagonalizer_module | Diagonalizer type using ScaLAPACK backend |
Nscalapackmatrix_module | ScaLAPACK matrix module |
Nslepcdavidsondiagonalizer_module | Diagonalizer type using SLEPc (Davidson) backend |
Nslepcdiagonalizer_module | Diagonalizer type using SLEPc backend |
Nslepcmatrix_module | SLEPc matrix module |
Nsolutionhandler_module | Solution handler module |
Nsweden_module | SWEDEN integral module |
Nsymbolic_module | Symbolic module |
Ntarget_rmat_ci_module | Target Rmat CI module |
Ntiming_module | Timing module |
Nukrmol_module | UKRmol+ integral module |
Nuncontracted_hamiltonian_module | Uncontracted Hamiltonian module |
Nutility_module | Utility module |
Nwritermatrix_module | Write matrix module |