Searched refs:r0_14 (Results 1 – 8 of 8) sorted by relevance
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/ |
H A D | constraint_4x6.F | 390 r0_14(:) = pos(:, index_a) - pos(:, index_d) 462 lg4x6(iconst)%r0_14 = r0_14 477 r0_14 = lg4x6(iconst)%r0_14 509 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_14, r0_14) 655 r0_14(:) = pos(:, index_a) - pos(:, index_d) 704 amat(3, 1) = imass1*DOTPROD_3D(r0_14, f_roll1) 705 amat(3, 2) = imass1*DOTPROD_3D(r0_14, f_roll2) 708 amat(3, 5) = imass4*DOTPROD_3D(r0_14, f_roll5) 734 lg4x6(iconst)%r0_14 = r0_14 755 r0_14 = lg4x6(iconst)%r0_14 [all …]
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H A D | restraint.F | 520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local 530 r0_14(:) = particle_set(index_a)%r - particle_set(index_d)%r 537 rad = SQRT(DOT_PRODUCT(r0_14, r0_14)) 553 … force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac + r0_14/rad*tad) 556 … force(:, index_d) = force(:, index_d) - 2.0_dp*k*(-r0_14/rad*tad - r0_24/rbd*tbd - r0_34/rcd*tcd)
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/dports/science/cp2k-data/cp2k-7.1.0/src/ |
H A D | constraint_4x6.F | 390 r0_14(:) = pos(:, index_a) - pos(:, index_d) 462 lg4x6(iconst)%r0_14 = r0_14 477 r0_14 = lg4x6(iconst)%r0_14 509 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_14, r0_14) 655 r0_14(:) = pos(:, index_a) - pos(:, index_d) 704 amat(3, 1) = imass1*DOTPROD_3D(r0_14, f_roll1) 705 amat(3, 2) = imass1*DOTPROD_3D(r0_14, f_roll2) 708 amat(3, 5) = imass4*DOTPROD_3D(r0_14, f_roll5) 734 lg4x6(iconst)%r0_14 = r0_14 755 r0_14 = lg4x6(iconst)%r0_14 [all …]
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H A D | restraint.F | 520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local 530 r0_14(:) = particle_set(index_a)%r - particle_set(index_d)%r 537 rad = SQRT(DOT_PRODUCT(r0_14, r0_14)) 553 … force(:, index_a) = force(:, index_a) - 2.0_dp*k*(r0_12/rab*tab + r0_13/rac*tac + r0_14/rad*tad) 556 … force(:, index_d) = force(:, index_d) - 2.0_dp*k*(-r0_14/rad*tad - r0_24/rbd*tbd - r0_34/rcd*tcd)
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/dports/cad/opencascade/opencascade-7.6.0/tests/offset/shape_type_i_c_multi/ |
H A D | A8 | 32 perform_offset_multi_with_ref r0_14 s 0 {7 10 13} {2.5 3 2.5} {642 410 22 18} 1
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H A D | B6 | 32 perform_offset_multi_with_ref r0_14 s 0 {8 10 12} {4 4 4} {464 276 22 20} 1
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/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/ |
H A D | molecule_types.F | 65 r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 component
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/dports/science/cp2k-data/cp2k-7.1.0/src/subsys/ |
H A D | molecule_types.F | 65 r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 component
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