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Searched refs:matrix_bs_sqrt_inv (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Ddm_ls_scf_methods.F107 CALL dbcsr_create(ls_scf_env%matrix_bs_sqrt_inv, template=ls_scf_env%matrix_s, &
220 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_bs_sqrt, matrix_bs_sqrt_inv local
293 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
294 CALL dbcsr_set(matrix_bs_sqrt_inv, 0.0_dp)
295 CALL dbcsr_add_on_diag(matrix_bs_sqrt_inv, 1.0_dp)
298 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
303 CALL matrix_sqrt_Newton_Schulz(matrix_bs_sqrt, matrix_bs_sqrt_inv, matrix_bs, &
326 SUBROUTINE apply_matrix_preconditioner(matrix, direction, matrix_bs_sqrt, matrix_bs_sqrt_inv) argument
330 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_bs_sqrt, matrix_bs_sqrt_inv local
343 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix, matrix_bs_sqrt_inv, &
[all …]
H A Ddm_ls_scf.F339 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
420 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
546 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
671 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
837 CALL dbcsr_release(ls_scf_env%matrix_bs_sqrt_inv)
1193 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
H A Ddm_ls_scf_types.F126 TYPE(dbcsr_type) :: matrix_bs_sqrt, matrix_bs_sqrt_inv component
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Ddm_ls_scf_methods.F104 CALL dbcsr_create(ls_scf_env%matrix_bs_sqrt_inv, template=ls_scf_env%matrix_s, &
217 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_bs_sqrt, matrix_bs_sqrt_inv local
290 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
291 CALL dbcsr_set(matrix_bs_sqrt_inv, 0.0_dp)
292 CALL dbcsr_add_on_diag(matrix_bs_sqrt_inv, 1.0_dp)
295 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
300 CALL matrix_sqrt_Newton_Schulz(matrix_bs_sqrt, matrix_bs_sqrt_inv, matrix_bs, &
323 SUBROUTINE apply_matrix_preconditioner(matrix, direction, matrix_bs_sqrt, matrix_bs_sqrt_inv) argument
327 TYPE(dbcsr_type), INTENT(INOUT) :: matrix_bs_sqrt, matrix_bs_sqrt_inv local
340 CALL dbcsr_multiply("N", "N", 1.0_dp, matrix, matrix_bs_sqrt_inv, &
[all …]
H A Ddm_ls_scf.F339 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
420 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
546 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
672 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
838 CALL dbcsr_release(ls_scf_env%matrix_bs_sqrt_inv)
1195 … ls_scf_env%matrix_bs_sqrt, ls_scf_env%matrix_bs_sqrt_inv)
H A Ddm_ls_scf_types.F128 TYPE(dbcsr_type) :: matrix_bs_sqrt, matrix_bs_sqrt_inv component