Searched defs:purify_mcweeny (Results 1 – 4 of 4) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | admm_dm_methods.F | 362 SUBROUTINE purify_mcweeny(ks_env) subroutine 365 CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mcweeny', routineP = moduleN//':'//routineN argument 367 INTEGER :: handle, ispin, istep, nspins, unit_nr 368 REAL(KIND=dp) :: frob_norm 369 TYPE(admm_dm_type), POINTER :: admm_dm 370 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, rho_ao_aux 371 TYPE(dbcsr_type) :: matrix_ps, matrix_psp, matrix_test 372 TYPE(dbcsr_type), POINTER :: matrix_p, matrix_s 373 TYPE(dft_control_type), POINTER :: dft_control 374 TYPE(mcweeny_history_type), POINTER :: history, new_hist_entry [all …]
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H A D | iterate_matrix.F | 44 INTERFACE purify_mcweeny interface
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | admm_dm_methods.F | 357 SUBROUTINE purify_mcweeny(ks_env) subroutine 360 CHARACTER(LEN=*), PARAMETER :: routineN = 'purify_mcweeny', routineP = moduleN//':'//routineN argument 362 INTEGER :: handle, ispin, istep, nspins, unit_nr 363 REAL(KIND=dp) :: frob_norm 364 TYPE(admm_dm_type), POINTER :: admm_dm 365 TYPE(dbcsr_p_type), DIMENSION(:), POINTER :: matrix_s_aux_fit, rho_ao_aux 366 TYPE(dbcsr_type) :: matrix_ps, matrix_psp, matrix_test 367 TYPE(dbcsr_type), POINTER :: matrix_p, matrix_s 368 TYPE(dft_control_type), POINTER :: dft_control 369 TYPE(mcweeny_history_type), POINTER :: history, new_hist_entry [all …]
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H A D | iterate_matrix.F | 39 INTERFACE purify_mcweeny interface
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