Searched refs:block_R (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | pao_param_linpot.F | 147 REAL(dp), DIMENSION(:, :), POINTER :: block_R, V_terms local
170 CALL dbcsr_iterator_next_block(iter, arow, acol, block_R)
186 block_R = 0.0_dp
192 block_R(i, j) = block_R(i, j) + w*S_evecs(i, k)*S_evecs(j, k)
366 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_R, & local
388 … CALL dbcsr_get_block_p(matrix=pao%matrix_R, row=iatom, col=iatom, block=block_R, found=found)
390 CPASSERT(ASSOCIATED(block_R) .AND. ASSOCIATED(block_U))
411 regu_energy = regu_energy + DOT_PRODUCT(block_X(:, 1), MATMUL(block_R, block_X(:, 1)))
435 block_G = block_G + 2.0_dp*MATMUL(block_R, block_X) ! regularization gradient
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| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | pao_param_linpot.F | 147 REAL(dp), DIMENSION(:, :), POINTER :: block_R, V_terms local
170 CALL dbcsr_iterator_next_block(iter, arow, acol, block_R)
186 block_R = 0.0_dp
192 block_R(i, j) = block_R(i, j) + w*S_evecs(i, k)*S_evecs(j, k)
366 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_R, & local
388 … CALL dbcsr_get_block_p(matrix=pao%matrix_R, row=iatom, col=iatom, block=block_R, found=found)
390 CPASSERT(ASSOCIATED(block_R) .AND. ASSOCIATED(block_U))
411 regu_energy = regu_energy + DOT_PRODUCT(block_X(:, 1), MATMUL(block_R, block_X(:, 1)))
435 block_G = block_G + 2.0_dp*MATMUL(block_R, block_X) ! regularization gradient
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