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subroutine, public | pexsi_interface::cp_pexsi_set_options (pexsi_options, temperature, gap, deltaE, numPole, isInertiaCount, maxPEXSIIter, muMin0, muMax0, mu0, muInertiaTolerance, muInertiaExpansion, muPEXSISafeGuard, numElectronPEXSITolerance, matrixType, isSymbolicFactorize, ordering, rowOrdering, npSymbFact, verbosity) |
| Set PEXSI internal options. More...
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subroutine, public | pexsi_interface::cp_pexsi_get_options (pexsi_options, temperature, gap, deltaE, numPole, isInertiaCount, maxPEXSIIter, muMin0, muMax0, mu0, muInertiaTolerance, muInertiaExpansion, muPEXSISafeGuard, numElectronPEXSITolerance, matrixType, isSymbolicFactorize, ordering, rowOrdering, npSymbFact, verbosity) |
| Access PEXSI internal options. More...
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subroutine, public | pexsi_interface::cp_pexsi_set_default_options (pexsi_options) |
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integer(kind=c_intptr_t) function, public | pexsi_interface::cp_pexsi_plan_initialize (comm, numProcRow, numProcCol, outputFileIndex) |
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subroutine, public | pexsi_interface::cp_pexsi_load_real_hs_matrix (plan, pexsi_options, nrows, nnz, nnzLocal, numColLocal, colptrLocal, rowindLocal, HnzvalLocal, isSIdentity, SnzvalLocal) |
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subroutine, public | pexsi_interface::cp_pexsi_dft_driver (plan, pexsi_options, numElectronExact, muPEXSI, numElectronPEXSI, muMinInertia, muMaxInertia, numTotalInertiaIter, numTotalPEXSIIter) |
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subroutine, public | pexsi_interface::cp_pexsi_retrieve_real_dft_matrix (plan, DMnzvalLocal, EDMnzvalLocal, FDMnzvalLocal, totalEnergyH, totalEnergyS, totalFreeEnergy) |
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subroutine, public | pexsi_interface::cp_pexsi_plan_finalize (plan) |
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