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(git:d18deda)
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(git:d18deda)
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Functions/Subroutines | |
| subroutine, public | dbcsr_hadamard_product (matrix_a, matrix_b, matrix_c) |
| Hadamard product: C = A . B (C needs to be different from A and B) | |
| real(dp) function, public | dbcsr_maxabs (matrix) |
| Compute the maxabs norm of a dbcsr matrix. | |
| real(dp) function, public | dbcsr_frobenius_norm (matrix) |
| Compute the frobenius norm of a dbcsr matrix. | |
| real(dp) function, public | dbcsr_gershgorin_norm (matrix) |
| Compute the gershgorin norm of a dbcsr matrix. | |
| subroutine, public | dbcsr_init_random (matrix, keep_sparsity) |
| Fills the given matrix with random numbers. | |
| subroutine, public | dbcsr_reserve_diag_blocks (matrix) |
| Reserves all diagonal blocks. | |
| subroutine, public | dbcsr_reserve_all_blocks (matrix) |
| Reserves all blocks. | |
| subroutine, public | dbcsr_add_on_diag (matrix, alpha) |
| Adds the given scalar to the diagonal of the matrix. Reserves any missing diagonal blocks. | |
| subroutine, public | dbcsr_dot (matrix_a, matrix_b, trace) |
| Computes the dot product of two matrices, also known as the trace of their matrix product. | |
| subroutine, public | dbcsr_trace (matrix, trace) |
| Computes the trace of the given matrix, also known as the sum of its diagonal elements. | |
| subroutine, public | dbcsr_get_block_diag (matrix, diag) |
| Copies the diagonal blocks of matrix into diag. | |
| subroutine, public | dbcsr_scale_by_vector (matrix, alpha, side) |
| Scales the rows/columns of given matrix. | |
| subroutine, public | dbcsr_get_diag (matrix, diag) |
| Copies the diagonal elements from the given matrix into the given array. | |
| subroutine, public | dbcsr_set_diag (matrix, diag) |
| Copies the diagonal elements from the given array into the given matrix. | |
| real(kind=dp) function, public | dbcsr_checksum (matrix, pos) |
| Calculates the checksum of a DBCSR matrix. | |
| subroutine, public | dbcsr_print (matrix, variable_name, unit_nr) |
| Prints given matrix in matlab format (only present blocks). | |
| subroutine, public cp_dbcsr_contrib::dbcsr_hadamard_product | ( | type(dbcsr_type), intent(in) | matrix_a, |
| type(dbcsr_type), intent(in) | matrix_b, | ||
| type(dbcsr_type), intent(inout) | matrix_c | ||
| ) |
Hadamard product: C = A . B (C needs to be different from A and B)
| matrix_a | ... |
| matrix_b | ... |
| matrix_c | ... |
Definition at line 52 of file cp_dbcsr_contrib.F.
| real(dp) function, public cp_dbcsr_contrib::dbcsr_maxabs | ( | type(dbcsr_type), intent(in) | matrix | ) |
Compute the maxabs norm of a dbcsr matrix.
| matrix | ... |
Definition at line 93 of file cp_dbcsr_contrib.F.
| real(dp) function, public cp_dbcsr_contrib::dbcsr_frobenius_norm | ( | type(dbcsr_type), intent(in) | matrix | ) |
Compute the frobenius norm of a dbcsr matrix.
| matrix | ... |
Definition at line 126 of file cp_dbcsr_contrib.F.
| real(dp) function, public cp_dbcsr_contrib::dbcsr_gershgorin_norm | ( | type(dbcsr_type), intent(in) | matrix | ) |
Compute the gershgorin norm of a dbcsr matrix.
| matrix | ... |
Definition at line 166 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_init_random | ( | type(dbcsr_type), intent(inout) | matrix, |
| logical, optional | keep_sparsity | ||
| ) |
Fills the given matrix with random numbers.
| matrix | ... |
| keep_sparsity | ... |
Definition at line 216 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_reserve_diag_blocks | ( | type(dbcsr_type), intent(inout) | matrix | ) |
Reserves all diagonal blocks.
| matrix | ... |
Definition at line 254 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_reserve_all_blocks | ( | type(dbcsr_type), intent(inout) | matrix | ) |
Reserves all blocks.
| matrix | ... |
Definition at line 294 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_add_on_diag | ( | type(dbcsr_type), intent(inout) | matrix, |
| real(kind=dp), intent(in) | alpha | ||
| ) |
Adds the given scalar to the diagonal of the matrix. Reserves any missing diagonal blocks.
| matrix | ... |
| alpha | ... |
Definition at line 330 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_dot | ( | type(dbcsr_type), intent(in) | matrix_a, |
| type(dbcsr_type), intent(in) | matrix_b, | ||
| real(kind=dp), intent(out) | trace | ||
| ) |
Computes the dot product of two matrices, also known as the trace of their matrix product.
| matrix_a | ... |
| matrix_b | ... |
| trace | ... |
Definition at line 366 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_trace | ( | type(dbcsr_type), intent(in) | matrix, |
| real(kind=dp), intent(out) | trace | ||
| ) |
Computes the trace of the given matrix, also known as the sum of its diagonal elements.
| matrix | ... |
| trace | ... |
Definition at line 411 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_get_block_diag | ( | type(dbcsr_type), intent(in) | matrix, |
| type(dbcsr_type), intent(inout) | diag | ||
| ) |
Copies the diagonal blocks of matrix into diag.
| matrix | ... |
| diag | ... |
Definition at line 449 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_scale_by_vector | ( | type(dbcsr_type), intent(inout) | matrix, |
| real(kind=dp), dimension(:), intent(in) | alpha, | ||
| character(len=*), intent(in) | side | ||
| ) |
Scales the rows/columns of given matrix.
| matrix | Matrix to be scaled in-place. |
| alpha | Vector with scaling factors. |
| side | Side from which to apply the vector. Allowed values are 'right' and 'left'. |
Definition at line 485 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_get_diag | ( | type(dbcsr_type), intent(in) | matrix, |
| real(kind=dp), dimension(:), intent(out) | diag | ||
| ) |
Copies the diagonal elements from the given matrix into the given array.
| matrix | ... |
| diag | ... |
Definition at line 543 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_set_diag | ( | type(dbcsr_type), intent(inout) | matrix, |
| real(kind=dp), dimension(:), intent(in) | diag | ||
| ) |
Copies the diagonal elements from the given array into the given matrix.
| matrix | ... |
| diag | ... |
Definition at line 584 of file cp_dbcsr_contrib.F.
| real(kind=dp) function, public cp_dbcsr_contrib::dbcsr_checksum | ( | type(dbcsr_type), intent(in) | matrix, |
| logical, intent(in), optional | pos | ||
| ) |
Calculates the checksum of a DBCSR matrix.
| matrix | ... |
| pos | Enable position-dependent checksum. |
Definition at line 627 of file cp_dbcsr_contrib.F.
| subroutine, public cp_dbcsr_contrib::dbcsr_print | ( | type(dbcsr_type), intent(in) | matrix, |
| character(len=*), intent(in), optional | variable_name, | ||
| integer, intent(in), optional | unit_nr | ||
| ) |
Prints given matrix in matlab format (only present blocks).
| matrix | ... |
| variable_name | ... |
| unit_nr | ... |
Definition at line 681 of file cp_dbcsr_contrib.F.
1.9.8