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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 |