Searched refs:dsblock1 (Results 1 – 2 of 2) sorted by relevance
| /dports/science/cp2k-data/cp2k-7.1.0/src/ |
| H A D | qs_dftb_matrices.F | 685 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: dsblock1 local
804 ALLOCATE (dsblock1(n1, n2, 3), dsblock(n1, n2), dsblockm(n1, n2))
805 dsblock1 = 0.0_dp
819 dsblock1(:, :, i) = (dsblock + dsblockm)
829 (dsblock1(:, :, i) - 2.0_dp*sblock)/ddr**2
852 … dsblock + dsblockm - dsblock1(:, :, i) - dsblock1(:, :, j) + 2.0_dp*sblock)/(2.0_dp*ddr**2)
857 DEALLOCATE (dsblock1, dsblock, dsblockm)
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| /dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
| H A D | qs_dftb_matrices.F | 685 REAL(KIND=dp), DIMENSION(:, :, :), POINTER :: dsblock1 local
804 ALLOCATE (dsblock1(n1, n2, 3), dsblock(n1, n2), dsblockm(n1, n2))
805 dsblock1 = 0.0_dp
819 dsblock1(:, :, i) = (dsblock + dsblockm)
829 (dsblock1(:, :, i) - 2.0_dp*sblock)/ddr**2
852 … dsblock + dsblockm - dsblock1(:, :, i) - dsblock1(:, :, j) + 2.0_dp*sblock)/(2.0_dp*ddr**2)
857 DEALLOCATE (dsblock1, dsblock, dsblockm)
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