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Searched refs:block_M2 (Results 1 – 4 of 4) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dpao_param_gth.F257 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_U, & local
308 ALLOCATE (block_M2(n, n))
310 M1=block_M1, G=block_M2, gap=gaps(iatom))
313 world_G(iterm) = world_G(iterm) + SUM(block_V_term*block_M2)
315 DEALLOCATE (block_M2)
H A Dpao_param_linpot.F366 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_R, & local
423 block_M2(1:n, 1:n) => vec_M2(:) ! map vector into matrix
425 … M1=block_M1, G=block_M2, gap=gaps(iatom), evals=evals(:, iatom))
426 IF (MAXVAL(ABS(block_M2 - TRANSPOSE(block_M2))) > 1e-14_dp) &
442 M_blocks(:, :, kterm) = block_M2*block_X(kterm, 1)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dpao_param_gth.F257 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_U, & local
308 ALLOCATE (block_M2(n, n))
310 M1=block_M1, G=block_M2, gap=gaps(iatom))
313 world_G(iterm) = world_G(iterm) + SUM(block_V_term*block_M2)
315 DEALLOCATE (block_M2)
H A Dpao_param_linpot.F366 REAL(dp), DIMENSION(:, :), POINTER :: block_G, block_M1, block_M2, block_R, & local
423 block_M2(1:n, 1:n) => vec_M2(:) ! map vector into matrix
425 … M1=block_M1, G=block_M2, gap=gaps(iatom), evals=evals(:, iatom))
426 IF (MAXVAL(ABS(block_M2 - TRANSPOSE(block_M2))) > 1e-14_dp) &
442 M_blocks(:, :, kterm) = block_M2*block_X(kterm, 1)