/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | lri_forces.F | 183 REAL(KIND=dp), DIMENSION(:, :), POINTER :: dssn, dsst, dtvec, pbij, sdssn, sdsst, & local 201 nl_iterator, pbij, pmat, soo_list, v_dadra, v_dadrb) 273 NULLIFY (pbij) 275 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 277 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb) 281 pab(1:nba, 1:nbb) = TRANSPOSE(pbij(1:nbb, 1:nba)) 451 REAL(KIND=dp), DIMENSION(:, :), POINTER :: dtveca, dtvecb, pbij local 468 nl_iterator, pbij, pmat, soo_list, v_dadra, v_dadrb) 539 NULLIFY (pbij) 543 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb) [all …]
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H A D | lri_optimize_ri_basis.F | 672 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pbij local 735 NULLIFY (pbij) 737 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 740 CALL dbcsr_get_block_p(matrix=pmat, row=jatom, col=iatom, block=pbij, found=found) 751 rhoexact_sq = rhoexact_sq + pbij(ksgfb, isgfa)*pbij(lsgfb, jsgfa) & 762 rhoexact_sq = rhoexact_sq + pbij(isgfa, ksgfb)*pbij(jsgfa, lsgfb) &
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H A D | lri_environment_methods.F | 619 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pbij local 630 NULLIFY (lrii, lri_rho, nl_iterator, pbij, pmat, soo_list) 678 NULLIFY (pbij) 680 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 683 CALL dbcsr_get_block_p(matrix=pmat, row=jatom, col=iatom, block=pbij, found=found) 701 pab(1:nba, 1:nbb) = TRANSPOSE(pbij(1:nbb, 1:nba)) 703 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | lri_forces.F | 183 REAL(KIND=dp), DIMENSION(:, :), POINTER :: dssn, dsst, dtvec, pbij, sdssn, sdsst, & local 201 nl_iterator, pbij, pmat, soo_list, v_dadra, v_dadrb) 273 NULLIFY (pbij) 275 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 277 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb) 281 pab(1:nba, 1:nbb) = TRANSPOSE(pbij(1:nbb, 1:nba)) 451 REAL(KIND=dp), DIMENSION(:, :), POINTER :: dtveca, dtvecb, pbij local 468 nl_iterator, pbij, pmat, soo_list, v_dadra, v_dadrb) 539 NULLIFY (pbij) 543 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb) [all …]
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H A D | lri_optimize_ri_basis.F | 672 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pbij local 735 NULLIFY (pbij) 737 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 740 CALL dbcsr_get_block_p(matrix=pmat, row=jatom, col=iatom, block=pbij, found=found) 751 rhoexact_sq = rhoexact_sq + pbij(ksgfb, isgfa)*pbij(lsgfb, jsgfa) & 762 rhoexact_sq = rhoexact_sq + pbij(isgfa, ksgfb)*pbij(jsgfa, lsgfb) &
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H A D | lri_environment_methods.F | 619 REAL(KIND=dp), DIMENSION(:, :), POINTER :: pbij local 630 NULLIFY (lrii, lri_rho, nl_iterator, pbij, pmat, soo_list) 678 NULLIFY (pbij) 680 CALL dbcsr_get_block_p(matrix=pmat, row=iatom, col=jatom, block=pbij, found=found) 683 CALL dbcsr_get_block_p(matrix=pmat, row=jatom, col=iatom, block=pbij, found=found) 701 pab(1:nba, 1:nbb) = TRANSPOSE(pbij(1:nbb, 1:nba)) 703 pab(1:nba, 1:nbb) = pbij(1:nba, 1:nbb)
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/dports/science/siconos/siconos-4.4.0/externals/netlib/odepack/test/ |
H A D | DLSOIBT-test.f | 349 1 dlj, drj, paij, pbij, pcij, terma, termb, termc, two local 362 pbij = -r6d*drj 365 10 pb(i,j,1) = pbij 382 pbij = -r6d*drj 386 pb(i,j,k) = pbij
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/dports/science/siconos/siconos-4.4.0/externals/netlib/odepack/ |
H A D | opkddemos | 6110 1 dlj, drj, paij, pbij, pcij, terma, termb, termc, two 6123 pbij = -r6d*drj 6126 10 pb(i,j,1) = pbij 6143 pbij = -r6d*drj 6147 pb(i,j,k) = pbij
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/dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/ |
H A D | fy_FY-WesternFrisian.dic | 224381 slûpbij
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