preconditioner_env (reference) in projects: dports

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Searched refs:preconditioner_env (Results 1 – 10 of 10) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A D	preconditioner_types.F	`91 NULLIFY (preconditioner_env%sparse_matrix) 92 NULLIFY (preconditioner_env%fm) 93 NULLIFY (preconditioner_env%dbcsr_matrix) 94 NULLIFY (preconditioner_env%occ_evals) 95 NULLIFY (preconditioner_env%full_evals) 97 NULLIFY (preconditioner_env%max_ev_vector) 98 NULLIFY (preconditioner_env%min_ev_vector) 100 preconditioner_env%para_env => para_env 101 preconditioner_env%ctxt => blacs_env 105 preconditioner_env%ihistory = 0 [all …]`
H A D	preconditioner_solvers.F	95 IF (preconditioner_env%condition_num < 0.0_dp) & 96 … CALL estimate_cond_num(preconditioner_env%sparse_matrix, preconditioner_env%condition_num) 138 CALL transfer_dbcsr_to_fm(preconditioner_env%sparse_matrix, preconditioner_env%fm, & 139 preconditioner_env%para_env, preconditioner_env%ctxt) 140 fm => preconditioner_env%fm 191 CALL transfer_dbcsr_to_fm(preconditioner_env%sparse_matrix, preconditioner_env%fm, & 192 preconditioner_env%para_env, preconditioner_env%ctxt) 194 fm => preconditioner_env%fm 240 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%sparse_matrix, matrix_h) 243 CALL dbcsr_init_p(preconditioner_env%dbcsr_matrix) [all …]
H A D	preconditioner_apply.F	62 SELECT CASE (preconditioner_env%in_use) 70 SELECT CASE (preconditioner_env%solver) 104 SELECT CASE (preconditioner_env%in_use) 108 CALL apply_single(preconditioner_env, matrix_in, matrix_out) 110 CALL apply_all(preconditioner_env, matrix_in, matrix_out) 112 SELECT CASE (preconditioner_env%solver) 171 IF (.NOT. ASSOCIATED(preconditioner_env%dbcsr_matrix)) & 248 dum = 1.0_dp/MAX(preconditioner_env%energy_gap, & 249 … preconditioner_env%full_evals(row_indices(i)) - preconditioner_env%occ_evals(col_indices(j))) 270 SUBROUTINE apply_all(preconditioner_env, matrix_in, matrix_out) argument [all …]
H A D	preconditioner_makes.F	93 precon_type = preconditioner_env%in_use 99 CALL make_full_single(preconditioner_env, preconditioner_env%fm, & 102 CALL make_full_single_ortho(preconditioner_env, preconditioner_env%fm, & 396 IF (ASSOCIATED(preconditioner_env%fm)) CALL cp_fm_release(preconditioner_env%fm) 402 matrix_pre => preconditioner_env%fm 521 preconditioner_env%occ_evals = c0_evals 566 IF (ASSOCIATED(preconditioner_env%fm)) CALL cp_fm_release(preconditioner_env%fm) 572 matrix_pre => preconditioner_env%fm 653 preconditioner_env%occ_evals = c0_evals 743 …IF (.NOT. ASSOCIATED(preconditioner_env%max_ev_vector)) ALLOCATE (preconditioner_env%max_ev_vector) [all …]
H A D	preconditioner.F	97 TYPE(preconditioner_type) :: preconditioner_env local 131 IF (preconditioner_env%solver == ot_precond_solver_update) & 132 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%dbcsr_matrix, matrix_h) 184 preconditioner_env%in_use = precon_type 185 preconditioner_env%cholesky_use = cholesky_reduce 191 IF (PRESENT(chol_type)) preconditioner_env%cholesky_use = chol_type 192 preconditioner_env%in_use = precon_type 197 CALL solve_preconditioner(my_solver_type, preconditioner_env, matrix_s, matrix_h) 203 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%dbcsr_matrix, matrix_h) 205 CALL transfer_dbcsr_to_fm(preconditioner_env%dbcsr_matrix, preconditioner_env%fm, & [all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A D	preconditioner_types.F	`91 NULLIFY (preconditioner_env%sparse_matrix) 92 NULLIFY (preconditioner_env%fm) 93 NULLIFY (preconditioner_env%dbcsr_matrix) 94 NULLIFY (preconditioner_env%occ_evals) 95 NULLIFY (preconditioner_env%full_evals) 97 NULLIFY (preconditioner_env%max_ev_vector) 98 NULLIFY (preconditioner_env%min_ev_vector) 100 preconditioner_env%para_env => para_env 101 preconditioner_env%ctxt => blacs_env 105 preconditioner_env%ihistory = 0 [all …]`
H A D	preconditioner_solvers.F	95 IF (preconditioner_env%condition_num < 0.0_dp) & 96 … CALL estimate_cond_num(preconditioner_env%sparse_matrix, preconditioner_env%condition_num) 138 CALL transfer_dbcsr_to_fm(preconditioner_env%sparse_matrix, preconditioner_env%fm, & 139 preconditioner_env%para_env, preconditioner_env%ctxt) 140 fm => preconditioner_env%fm 191 CALL transfer_dbcsr_to_fm(preconditioner_env%sparse_matrix, preconditioner_env%fm, & 192 preconditioner_env%para_env, preconditioner_env%ctxt) 194 fm => preconditioner_env%fm 240 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%sparse_matrix, matrix_h) 243 CALL dbcsr_init_p(preconditioner_env%dbcsr_matrix) [all …]
H A D	preconditioner_apply.F	62 SELECT CASE (preconditioner_env%in_use) 70 SELECT CASE (preconditioner_env%solver) 104 SELECT CASE (preconditioner_env%in_use) 108 CALL apply_single(preconditioner_env, matrix_in, matrix_out) 110 CALL apply_all(preconditioner_env, matrix_in, matrix_out) 112 SELECT CASE (preconditioner_env%solver) 171 IF (.NOT. ASSOCIATED(preconditioner_env%dbcsr_matrix)) & 248 dum = 1.0_dp/MAX(preconditioner_env%energy_gap, & 249 … preconditioner_env%full_evals(row_indices(i)) - preconditioner_env%occ_evals(col_indices(j))) 270 SUBROUTINE apply_all(preconditioner_env, matrix_in, matrix_out) argument [all …]
H A D	preconditioner_makes.F	93 precon_type = preconditioner_env%in_use 99 CALL make_full_single(preconditioner_env, preconditioner_env%fm, & 102 CALL make_full_single_ortho(preconditioner_env, preconditioner_env%fm, & 396 IF (ASSOCIATED(preconditioner_env%fm)) CALL cp_fm_release(preconditioner_env%fm) 402 matrix_pre => preconditioner_env%fm 521 preconditioner_env%occ_evals = c0_evals 566 IF (ASSOCIATED(preconditioner_env%fm)) CALL cp_fm_release(preconditioner_env%fm) 572 matrix_pre => preconditioner_env%fm 653 preconditioner_env%occ_evals = c0_evals 743 …IF (.NOT. ASSOCIATED(preconditioner_env%max_ev_vector)) ALLOCATE (preconditioner_env%max_ev_vector) [all …]
H A D	preconditioner.F	97 TYPE(preconditioner_type) :: preconditioner_env local 131 IF (preconditioner_env%solver == ot_precond_solver_update) & 132 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%dbcsr_matrix, matrix_h) 184 preconditioner_env%in_use = precon_type 185 preconditioner_env%cholesky_use = cholesky_reduce 191 IF (PRESENT(chol_type)) preconditioner_env%cholesky_use = chol_type 192 preconditioner_env%in_use = precon_type 197 CALL solve_preconditioner(my_solver_type, preconditioner_env, matrix_s, matrix_h) 203 CALL transfer_fm_to_dbcsr(preconditioner_env%fm, preconditioner_env%dbcsr_matrix, matrix_h) 205 CALL transfer_dbcsr_to_fm(preconditioner_env%dbcsr_matrix, preconditioner_env%fm, & [all …]