Searched refs:matrix_bs (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | dm_ls_scf_methods.F | 234 TYPE(dbcsr_type) :: matrix_bs local
241 CALL dbcsr_create(matrix_bs, template=matrix_s)
273 … CALL dbcsr_put_block(matrix=matrix_bs, row=iblock_row, col=iblock_col, block=block_sp)
275 … CALL dbcsr_put_block(matrix=matrix_bs, row=iblock_row, col=iblock_col, block=block_dp)
283 CALL dbcsr_finalize(matrix_bs)
288 CALL dbcsr_copy(matrix_bs_sqrt, matrix_bs)
293 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
297 CALL dbcsr_copy(matrix_bs_sqrt, matrix_bs)
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, &
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | dm_ls_scf_methods.F | 231 TYPE(dbcsr_type) :: matrix_bs local
238 CALL dbcsr_create(matrix_bs, template=matrix_s)
270 … CALL dbcsr_put_block(matrix=matrix_bs, row=iblock_row, col=iblock_col, block=block_sp)
272 … CALL dbcsr_put_block(matrix=matrix_bs, row=iblock_row, col=iblock_col, block=block_dp)
280 CALL dbcsr_finalize(matrix_bs)
285 CALL dbcsr_copy(matrix_bs_sqrt, matrix_bs)
290 CALL dbcsr_copy(matrix_bs_sqrt_inv, matrix_bs)
294 CALL dbcsr_copy(matrix_bs_sqrt, matrix_bs)
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, &
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