fix conventions

cp2k · Jun 8, 2022 · 2a93ef0 · 2a93ef0
1 parent 9b7da12
commit 2a93ef0
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Showing 2 changed files with 12 additions and 5 deletions.
diff --git a/src/fm/cp_fm_basic_linalg.F b/src/fm/cp_fm_basic_linalg.F
@@ -18,7 +18,8 @@ MODULE cp_fm_basic_linalg
         cp_fm_create, cp_fm_get_diag, cp_fm_get_info, cp_fm_get_submatrix, cp_fm_p_type, &
         cp_fm_release, cp_fm_set_all, cp_fm_set_element, cp_fm_set_submatrix, cp_fm_to_fm, &
         cp_fm_type
-   USE cp_log_handling,                 ONLY: cp_to_string
+   USE cp_log_handling,                 ONLY: cp_logger_get_default_unit_nr,&
+                                              cp_to_string
    USE kahan_sum,                       ONLY: accurate_dot_product,&
                                               accurate_sum
    USE kinds,                           ONLY: dp,&
@@ -2310,7 +2311,7 @@ SUBROUTINE cp_fm_Gram_Schmidt_orthonorm(matrix_a, B, nrows, ncols, start_row, st
 
       INTEGER :: end_col_global, end_col_local, end_row_global, end_row_local, handle, i, j, &
          j_col, ncol_global, ncol_local, nrow_global, nrow_local, start_col_global, &
-         start_col_local, start_row_global, start_row_local, this_col
+         start_col_local, start_row_global, start_row_local, this_col, unit_nr
       INTEGER, DIMENSION(:), POINTER                     :: col_indices, row_indices
       LOGICAL                                            :: my_do_norm, my_do_print
       REAL(KIND=dp)                                      :: norm
@@ -2326,6 +2327,12 @@ SUBROUTINE cp_fm_Gram_Schmidt_orthonorm(matrix_a, B, nrows, ncols, start_row, st
       my_do_print = .FALSE.
       IF (PRESENT(do_print) .AND. (my_do_norm)) my_do_print = do_print
 
+      unit_nr = -1
+      IF (my_do_print) THEN
+         unit_nr = cp_logger_get_default_unit_nr()
+         IF (unit_nr < 1) my_do_print = .FALSE.
+      END IF
+
       IF (SIZE(B) /= 0) THEN
          IF (PRESENT(nrows)) THEN
             nrow_global = nrows
@@ -2396,7 +2403,7 @@ SUBROUTINE cp_fm_Gram_Schmidt_orthonorm(matrix_a, B, nrows, ncols, start_row, st
          IF (my_do_norm) THEN
             norm = SQRT(accurate_dot_product(B(:, this_col), B(:, this_col)))
             B(:, this_col) = B(:, this_col)/norm
-            IF (my_do_print) WRITE (*, '(I3,F8.3)') this_col, norm
+            IF (my_do_print) WRITE (unit_nr, '(I3,F8.3)') this_col, norm
          END IF
 
          DO i = start_col_local + 1, end_col_local
@@ -2412,7 +2419,7 @@ SUBROUTINE cp_fm_Gram_Schmidt_orthonorm(matrix_a, B, nrows, ncols, start_row, st
             IF (my_do_norm) THEN
                norm = SQRT(accurate_dot_product(B(:, this_col), B(:, this_col)))
                B(:, this_col) = B(:, this_col)/norm
-               IF (my_do_print) WRITE (*, '(I3,F8.3)') this_col, norm
+               IF (my_do_print) WRITE (unit_nr, '(I3,F8.3)') this_col, norm
             END IF
 
          END DO

diff --git a/src/qs_localization_methods.F b/src/qs_localization_methods.F
@@ -777,7 +777,7 @@ SUBROUTINE jacobi_cg_edf_ls(para_env, weights, zij, vectors, max_iter, eps_local
          ! initialize c_tilde
          SELECT CASE (icinit)
          CASE (1) ! random coefficients
-            WRITE (*, *) "RANDOM INITIAL GUESS FOR C"
+            !WRITE (*, *) "RANDOM INITIAL GUESS FOR C"
             CALL cp_fm_create(tmp_fm, c_tilde%matrix_struct)
             CALL cp_fm_init_random(tmp_fm, nextra)
             CALL make_basis_simple(tmp_fm, nextra)