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Searched refs:r0_34 (Results 1 – 6 of 6) sorted by relevance

/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/
H A Dconstraint_4x6.F393 r0_34(:) = pos(:, index_c) - pos(:, index_d)
465 lg4x6(iconst)%r0_34 = r0_34
480 r0_34 = lg4x6(iconst)%r0_34
530 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_34, r0_34)
657 r0_34(:) = pos(:, index_c) - pos(:, index_d)
726 amat(6, 2) = -imass3*DOTPROD_3D(r0_34, f_roll2)
727 amat(6, 3) = imass4*DOTPROD_3D(r0_34, f_roll3)
729 amat(6, 5) = imass4*DOTPROD_3D(r0_34, f_roll5)
737 lg4x6(iconst)%r0_34 = r0_34
758 r0_34 = lg4x6(iconst)%r0_34
[all …]
H A Drestraint.F520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local
533 r0_34(:) = particle_set(index_c)%r - particle_set(index_d)%r
540 rcd = SQRT(DOT_PRODUCT(r0_34, r0_34))
555 … force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc + r0_34/rcd*tcd)
556 … force(:, index_d) = force(:, index_d) - 2.0_dp*k*(-r0_14/rad*tad - r0_24/rbd*tbd - r0_34/rcd*tcd)
/dports/science/cp2k-data/cp2k-7.1.0/src/
H A Dconstraint_4x6.F393 r0_34(:) = pos(:, index_c) - pos(:, index_d)
465 lg4x6(iconst)%r0_34 = r0_34
480 r0_34 = lg4x6(iconst)%r0_34
530 - dtsqby2*dtsqby2*DOTPROD_3D(vec, vec) - DOTPROD_3D(r0_34, r0_34)
657 r0_34(:) = pos(:, index_c) - pos(:, index_d)
726 amat(6, 2) = -imass3*DOTPROD_3D(r0_34, f_roll2)
727 amat(6, 3) = imass4*DOTPROD_3D(r0_34, f_roll3)
729 amat(6, 5) = imass4*DOTPROD_3D(r0_34, f_roll5)
737 lg4x6(iconst)%r0_34 = r0_34
758 r0_34 = lg4x6(iconst)%r0_34
[all …]
H A Drestraint.F520 REAL(KIND=dp), DIMENSION(3) :: r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 local
533 r0_34(:) = particle_set(index_c)%r - particle_set(index_d)%r
540 rcd = SQRT(DOT_PRODUCT(r0_34, r0_34))
555 … force(:, index_c) = force(:, index_c) - 2.0_dp*k*(-r0_13/rac*tac - r0_23/rbc*tbc + r0_34/rcd*tcd)
556 … force(:, index_d) = force(:, index_d) - 2.0_dp*k*(-r0_14/rad*tad - r0_24/rbd*tbd - r0_34/rcd*tcd)
/dports/science/cp2k/cp2k-2e995eec7fd208c8a72d9544807bd8b8ba8cd1cc/src/subsys/
H A Dmolecule_types.F65 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.F65 r0_12, r0_13, r0_14, r0_23, r0_24, r0_34 component