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Searched refs:pbij (Results 1 – 9 of 9) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dlri_forces.F183 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 …]
H A Dlri_optimize_ri_basis.F672 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) &
H A Dlri_environment_methods.F619 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)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dlri_forces.F183 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 …]
H A Dlri_optimize_ri_basis.F672 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) &
H A Dlri_environment_methods.F619 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)
/dports/science/siconos/siconos-4.4.0/externals/netlib/odepack/test/
H A DDLSOIBT-test.f349 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
/dports/science/siconos/siconos-4.4.0/externals/netlib/odepack/
H A Dopkddemos6110 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
/dports/editors/texstudio/texstudio-4.1.2/utilities/dictionaries/
H A Dfy_FY-WesternFrisian.dic224381 slûpbij