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fix due to DBCSR update
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pseewald committed Apr 29, 2020
1 parent 4826a90 commit c1d5dea
Showing 1 changed file with 3 additions and 3 deletions.
6 changes: 3 additions & 3 deletions src/rpa_util.F
Original file line number Diff line number Diff line change
Expand Up @@ -418,7 +418,7 @@ SUBROUTINE reorder_mat_L(fm_mat_L, fm_matrix_L_RI_metric, fm_struct_template, pa
CHARACTER(LEN=*), PARAMETER :: routineN = 'reorder_mat_L', routineP = moduleN//':'//routineN

INTEGER :: handle, i_size, j_size, nblk
INTEGER, DIMENSION(:), POINTER :: row_blk_size
INTEGER, DIMENSION(:), POINTER :: col_blk_size, row_blk_size
LOGICAL :: do_kpoints
TYPE(cp_blacs_env_type), POINTER :: blacs_env
TYPE(cp_fm_struct_type), POINTER :: fm_struct
Expand Down Expand Up @@ -513,11 +513,11 @@ SUBROUTINE reorder_mat_L(fm_mat_L, fm_matrix_L_RI_metric, fm_struct_template, pa
IF (dimen_RI == dimen_RI_red) THEN
CALL dbcsr_create(mat_L%matrix, template=mat_template)
ELSE
CALL dbcsr_get_info(mat_template, nblkrows_total=nblk)
CALL dbcsr_get_info(mat_template, nblkrows_total=nblk, col_blk_size=col_blk_size)

CALL calculate_equal_blk_size(row_blk_size, dimen_RI_red, nblk)

CALL dbcsr_create(mat_L%matrix, template=mat_template, row_blk_size=row_blk_size)
CALL dbcsr_create(mat_L%matrix, template=mat_template, row_blk_size=row_blk_size, col_blk_size=col_blk_size)

DEALLOCATE (row_blk_size)
END IF
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