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Searched refs:r0_23 (Results 1 – 9 of 9) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_3x3.F391 r0_23(:) = pos(:, index_b) - pos(:, index_c)
415 amat(3, 2) = imass3*DOTPROD_3D(r0_23, lg3x3(iconst)%fb)
420 lg3x3(iconst)%r0_23 = r0_23
428 r0_23 = lg3x3(iconst)%r0_23
449 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_23, r0_23)
550 r0_23(:) = pos(:, index_b) - pos(:, index_c)
577 amat(3, 1) = -imass2*DOTPROD_3D(r0_23, f_roll1)
578 amat(3, 2) = imass3*DOTPROD_3D(r0_23, f_roll2)
583 lg3x3(iconst)%r0_23 = r0_23
594 r0_23 = lg3x3(iconst)%r0_23
[all …]
H A Drestraint.F455 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_23 local
464 r0_23(:) = particle_set(index_b)%r - particle_set(index_c)%r
468 rbc = SQRT(DOT_PRODUCT(r0_23, r0_23))
477 force(:, index_b) = force(:, index_b) - 2.0_dp*k*(-r0_12/rab*tab + r0_23/rbc*tbc)
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
531 r0_23(:) = particle_set(index_b)%r - particle_set(index_c)%r
538 rbc = SQRT(DOT_PRODUCT(r0_23, r0_23))
554 … force(:, index_b) = force(:, index_b) - 2.0_dp*k*(-r0_12/rab*tab + r0_23/rbc*tbc + r0_24/rbd*tbd)
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.F391 r0_23(:) = pos(:, index_b) - pos(:, index_c)
463 lg4x6(iconst)%r0_23 = r0_23
478 r0_23 = lg4x6(iconst)%r0_23
516 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_23, r0_23)
654 r0_23(:) = pos(:, index_b) - pos(:, index_c)
711 amat(4, 1) = -imass2*DOTPROD_3D(r0_23, f_roll1)
712 amat(4, 2) = imass3*DOTPROD_3D(r0_23, f_roll2)
715 amat(4, 5) = imass2*DOTPROD_3D(r0_23, f_roll5)
735 lg4x6(iconst)%r0_23 = r0_23
756 r0_23 = lg4x6(iconst)%r0_23
[all …]
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_3x3.F391 r0_23(:) = pos(:, index_b) - pos(:, index_c)
415 amat(3, 2) = imass3*DOTPROD_3D(r0_23, lg3x3(iconst)%fb)
420 lg3x3(iconst)%r0_23 = r0_23
428 r0_23 = lg3x3(iconst)%r0_23
449 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_23, r0_23)
550 r0_23(:) = pos(:, index_b) - pos(:, index_c)
577 amat(3, 1) = -imass2*DOTPROD_3D(r0_23, f_roll1)
578 amat(3, 2) = imass3*DOTPROD_3D(r0_23, f_roll2)
583 lg3x3(iconst)%r0_23 = r0_23
594 r0_23 = lg3x3(iconst)%r0_23
[all …]
H A Drestraint.F455 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_23 local
464 r0_23(:) = particle_set(index_b)%r - particle_set(index_c)%r
468 rbc = SQRT(DOT_PRODUCT(r0_23, r0_23))
477 force(:, index_b) = force(:, index_b) - 2.0_dp*k*(-r0_12/rab*tab + r0_23/rbc*tbc)
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
531 r0_23(:) = particle_set(index_b)%r - particle_set(index_c)%r
538 rbc = SQRT(DOT_PRODUCT(r0_23, r0_23))
554 … force(:, index_b) = force(:, index_b) - 2.0_dp*k*(-r0_12/rab*tab + r0_23/rbc*tbc + r0_24/rbd*tbd)
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.F391 r0_23(:) = pos(:, index_b) - pos(:, index_c)
463 lg4x6(iconst)%r0_23 = r0_23
478 r0_23 = lg4x6(iconst)%r0_23
516 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_23, r0_23)
654 r0_23(:) = pos(:, index_b) - pos(:, index_c)
711 amat(4, 1) = -imass2*DOTPROD_3D(r0_23, f_roll1)
712 amat(4, 2) = imass3*DOTPROD_3D(r0_23, f_roll2)
715 amat(4, 5) = imass2*DOTPROD_3D(r0_23, f_roll5)
735 lg4x6(iconst)%r0_23 = r0_23
756 r0_23 = lg4x6(iconst)%r0_23
[all …]
/dports/cad/opencascade/opencascade-7.6.0/tests/offset/shape_type_i_c_multi/
H A DB643 perform_offset_multi_with_ref r0_23 s 0 {8 9 10 11 12} {1 2 3 4 4} {392 292 18 18} 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