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Searched refs:r0_13 (Results 1 – 11 of 11) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_3x3.F390 r0_13(:) = pos(:, index_a) - pos(:, index_c)
411 amat(2, 1) = imass1*DOTPROD_3D(r0_13, lg3x3(iconst)%fa)
419 lg3x3(iconst)%r0_13 = r0_13
427 r0_13 = lg3x3(iconst)%r0_13
444 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_13, r0_13)
549 r0_13(:) = pos(:, index_a) - pos(:, index_c)
574 amat(2, 1) = imass1*DOTPROD_3D(r0_13, f_roll1)
576 amat(2, 3) = imass3*DOTPROD_3D(r0_13, f_roll3)
582 lg3x3(iconst)%r0_13 = r0_13
593 r0_13 = lg3x3(iconst)%r0_13
[all …]
H A Drestraint.F455 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_23 local
463 r0_13(:) = particle_set(index_a)%r - particle_set(index_c)%r
467 rac = SQRT(DOT_PRODUCT(r0_13, r0_13))
476 force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac)
478 force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc)
520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local
529 r0_13(:) = particle_set(index_a)%r - particle_set(index_c)%r
536 rac = SQRT(DOT_PRODUCT(r0_13, r0_13))
553 … force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac + r0_14/rad*tad)
555 … force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc + r0_34/rcd*tcd)
H A Dconstraint_4x6.F389 r0_13(:) = pos(:, index_a) - pos(:, index_c)
461 lg4x6(iconst)%r0_13 = r0_13
476 r0_13 = lg4x6(iconst)%r0_13
502 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_13, r0_13)
653 r0_13(:) = pos(:, index_a) - pos(:, index_c)
697 amat(2, 1) = imass1*DOTPROD_3D(r0_13, f_roll1)
699 amat(2, 3) = imass1*DOTPROD_3D(r0_13, f_roll3)
700 amat(2, 4) = imass3*DOTPROD_3D(r0_13, f_roll4)
733 lg4x6(iconst)%r0_13 = r0_13
754 r0_13 = lg4x6(iconst)%r0_13
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_3x3.F390 r0_13(:) = pos(:, index_a) - pos(:, index_c)
411 amat(2, 1) = imass1*DOTPROD_3D(r0_13, lg3x3(iconst)%fa)
419 lg3x3(iconst)%r0_13 = r0_13
427 r0_13 = lg3x3(iconst)%r0_13
444 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_13, r0_13)
549 r0_13(:) = pos(:, index_a) - pos(:, index_c)
574 amat(2, 1) = imass1*DOTPROD_3D(r0_13, f_roll1)
576 amat(2, 3) = imass3*DOTPROD_3D(r0_13, f_roll3)
582 lg3x3(iconst)%r0_13 = r0_13
593 r0_13 = lg3x3(iconst)%r0_13
[all …]
H A Drestraint.F455 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_23 local
463 r0_13(:) = particle_set(index_a)%r - particle_set(index_c)%r
467 rac = SQRT(DOT_PRODUCT(r0_13, r0_13))
476 force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac)
478 force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc)
520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local
529 r0_13(:) = particle_set(index_a)%r - particle_set(index_c)%r
536 rac = SQRT(DOT_PRODUCT(r0_13, r0_13))
553 … force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac + r0_14/rad*tad)
555 … force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc + r0_34/rcd*tcd)
H A Dconstraint_4x6.F389 r0_13(:) = pos(:, index_a) - pos(:, index_c)
461 lg4x6(iconst)%r0_13 = r0_13
476 r0_13 = lg4x6(iconst)%r0_13
502 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_13, r0_13)
653 r0_13(:) = pos(:, index_a) - pos(:, index_c)
697 amat(2, 1) = imass1*DOTPROD_3D(r0_13, f_roll1)
699 amat(2, 3) = imass1*DOTPROD_3D(r0_13, f_roll3)
700 amat(2, 4) = imass3*DOTPROD_3D(r0_13, f_roll4)
733 lg4x6(iconst)%r0_13 = r0_13
754 r0_13 = lg4x6(iconst)%r0_13
[all …]
/dports/cad/opencascade/opencascade-7.6.0/tests/offset/shape_type_i_c_multi/
H A DA831 perform_offset_multi_with_ref r0_13 s 0 {7 10 13} {2 5 2} {660 400 26 22} 1
H A DA531 perform_offset_multi_with_ref r0_13 s 0 {7 11} {3 3} {548 340 16 14} 1
H A DB631 perform_offset_multi_with_ref r0_13 s 0 {8 10 12} {3 3 3} {452 252 22 22} 1
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_types.F53 r0_12, r0_13, r0_23 component
65 r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 component
/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/
H A Dmolecule_types.F53 r0_12, r0_13, r0_23 component
65 r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 component