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| Original file line number | Diff line number | Diff line change |
|---|---|---|
| @@ -0,0 +1,105 @@ | ||
| import json | ||
| import math | ||
|
|
||
| Mu = 1.84e-05 | ||
| gam_a = 1.4 | ||
|
|
||
| # Configuring case dictionary | ||
| print( | ||
| json.dumps( | ||
| { | ||
| # Logistics | ||
| "run_time_info": "T", | ||
| # Computational Domain Parameters | ||
| # For these computations, the cylinder is placed at the (0,0,0) | ||
| # domain origin. | ||
| # axial direction | ||
| "x_domain%beg": 0.0e00, | ||
| "x_domain%end": 6.0e-03, | ||
| # r direction | ||
| "y_domain%beg": 0.0e00, | ||
| "y_domain%end": 6.0e-03, | ||
| "cyl_coord": "F", | ||
| "m": 200, | ||
| "n": 200, | ||
| "p": 0, | ||
| "dt": 6.0e-6, | ||
| "t_step_start": 0, | ||
| "t_step_stop": 10000, # 10000, | ||
| "t_step_save": 100, | ||
| # Simulation Algorithm Parameters | ||
| # Only one patches are necessary, the air tube | ||
| "num_patches": 1, | ||
| # Use the 5 equation model | ||
| "model_eqns": 2, | ||
| "alt_soundspeed": "F", | ||
| # One fluids: air | ||
| "num_fluids": 1, | ||
| # time step | ||
| "mpp_lim": "F", | ||
| # Correct errors when computing speed of sound | ||
| "mixture_err": "T", | ||
| # Use TVD RK3 for time marching | ||
| "time_stepper": 3, | ||
| # Use WENO5 | ||
| "weno_order": 5, | ||
| "weno_eps": 1.0e-16, | ||
| "weno_Re_flux": "T", | ||
| "weno_avg": "T", | ||
| "avg_state": 2, | ||
| "mapped_weno": "T", | ||
| "null_weights": "F", | ||
| "mp_weno": "T", | ||
| "riemann_solver": 2, | ||
| "wave_speeds": 1, | ||
| # We use ghost-cell | ||
| "bc_x%beg": -3, | ||
| "bc_x%end": -3, | ||
| "bc_y%beg": -3, | ||
| "bc_y%end": -3, | ||
| # Set IB to True and add 1 patch | ||
| "ib": "T", | ||
| "num_ibs": 1, | ||
| "viscous": "T", | ||
| # Formatted Database Files Structure Parameters | ||
| "format": 1, | ||
| "precision": 2, | ||
| "prim_vars_wrt": "T", | ||
| "E_wrt": "T", | ||
| "parallel_io": "T", | ||
| # Patch: Constant Tube filled with air | ||
| # Specify the cylindrical air tube grid geometry | ||
| "patch_icpp(1)%geometry": 3, | ||
| "patch_icpp(1)%x_centroid": 3.0e-03, | ||
| # Uniform medium density, centroid is at the center of the domain | ||
| "patch_icpp(1)%y_centroid": 3.0e-03, | ||
| "patch_icpp(1)%length_x": 6.0e-03, | ||
| "patch_icpp(1)%length_y": 6.0e-03, | ||
| # Specify the patch primitive variables | ||
| "patch_icpp(1)%vel(1)": 0.05e00, | ||
| "patch_icpp(1)%vel(2)": 0.0e00, | ||
| "patch_icpp(1)%pres": 1.0e00, | ||
| "patch_icpp(1)%alpha_rho(1)": 1.0e00, | ||
| "patch_icpp(1)%alpha(1)": 1.0e00, | ||
| # Patch: Cylinder Immersed Boundary | ||
| "patch_ib(1)%geometry": 2, | ||
| "patch_ib(1)%x_centroid": 1.5e-03, | ||
| "patch_ib(1)%y_centroid": 4.5e-03, | ||
| "patch_ib(1)%radius": 0.3e-03, | ||
| "patch_ib(1)%slip": "F", | ||
| "patch_ib(1)%moving_ibm": 2, | ||
| "patch_ib(1)%vel(2)": -0.1, | ||
| "patch_ib(1)%angles(1)": 0.0, # x-axis rotation in radians | ||
| "patch_ib(1)%angles(2)": 0.0, # y-axis rotation | ||
| "patch_ib(1)%angles(3)": 0.0, # z-axis rotation | ||
| "patch_ib(1)%angular_vel(1)": 0.0, # x-axis rotational velocity in radians per second | ||
| "patch_ib(1)%angular_vel(2)": 0.0, # y-axis rotation | ||
| "patch_ib(1)%angular_vel(3)": 0.0, # z-axis rotation | ||
| "patch_ib(1)%mass": 1.0e-6, # z-axis rotation | ||
| # Fluids Physical Parameters | ||
| "fluid_pp(1)%gamma": 1.0e00 / (gam_a - 1.0e00), # 2.50(Not 1.40) | ||
| "fluid_pp(1)%pi_inf": 0, | ||
| "fluid_pp(1)%Re(1)": 2500000, | ||
| } | ||
| ) | ||
| ) | ||
| Original file line number | Diff line number | Diff line change | ||||||||
|---|---|---|---|---|---|---|---|---|---|---|
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@@ -472,6 +472,32 @@ contains | |||||||||
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| end subroutine s_mpi_allreduce_sum | ||||||||||
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||||||||||
| !> This subroutine follows the behavior of the s_mpi_allreduce_sum subroutine | ||||||||||
| !> with the additional feature that it reduces an array of vectors. | ||||||||||
| impure subroutine s_mpi_allreduce_vectors_sum(var_loc, var_glb, num_vectors, vector_length) | ||||||||||
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||||||||||
| integer, intent(in) :: num_vectors, vector_length | ||||||||||
| real(wp), dimension(:, :), intent(in) :: var_loc | ||||||||||
| real(wp), dimension(:, :), intent(out) :: var_glb | ||||||||||
|
|
||||||||||
| #ifdef MFC_MPI | ||||||||||
| integer :: ierr !< Generic flag used to identify and report MPI errors | ||||||||||
|
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||||||||||
| ! Performing the reduction procedure | ||||||||||
| if (loc(var_loc) == loc(var_glb)) then | ||||||||||
| call MPI_Allreduce(MPI_IN_PLACE, var_glb, num_vectors*vector_length, & | ||||||||||
| mpi_p, MPI_SUM, MPI_COMM_WORLD, ierr) | ||||||||||
| else | ||||||||||
| call MPI_Allreduce(var_loc, var_glb, num_vectors*vector_length, & | ||||||||||
| mpi_p, MPI_SUM, MPI_COMM_WORLD, ierr) | ||||||||||
| end if | ||||||||||
|
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||||||||||
| #else | ||||||||||
| var_glb(1:num_vectors, 1:vector_length) = var_loc(1:num_vectors, 1:vector_length) | ||||||||||
| #endif | ||||||||||
|
Contributor
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. P2: Missing non-MPI fallback: when Prompt for AI agents
Suggested change
✅ Addressed in |
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| end subroutine s_mpi_allreduce_vectors_sum | ||||||||||
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||||||||||
| !> The following subroutine takes the input local variable | ||||||||||
| !! from all processors and reduces to the sum of all | ||||||||||
| !! values. The reduced variable is recorded back onto the | ||||||||||
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|
Contributor
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. High-level SuggestionThe force and torque calculations in Solution Walkthrough:Before:subroutine s_compute_ib_forces(pressure)
...
do i = 0, m
do j = 0, n
do k = 0, p
...
! Incorrect pressure gradient using cell-center coordinates in denominator
pressure_divergence(1) = (pressure(i+1,j,k) - pressure(i-1,j,k)) / (2._wp * x_cc(i))
pressure_divergence(2) = (pressure(i,j+1,k) - pressure(i,j-1,k)) / (2._wp * y_cc(j))
! Incorrect cell volume calculation using coordinates
cell_volume = x_cc(i) * y_cc(j)
if (num_dims == 3) then
pressure_divergence(3) = (pressure(i,j,k+1) - pressure(i,j,k-1)) / (2._wp * z_cc(k))
cell_volume = cell_volume * z_cc(k)
end if
forces(ib_idx, :) = forces(ib_idx, :) - (pressure_divergence * cell_volume)
...
end do
end do
end do
end subroutine
After:subroutine s_compute_ib_forces(pressure)
...
! Grid spacings (dx, dy, dz) should be available or computed
! e.g., dx = x_cc(1) - x_cc(0) for a uniform grid
do i = 0, m
do j = 0, n
do k = 0, p
...
! Correct pressure gradient using grid spacing
pressure_divergence(1) = (pressure(i+1,j,k) - pressure(i-1,j,k)) / (2._wp * dx)
pressure_divergence(2) = (pressure(i,j+1,k) - pressure(i,j-1,k)) / (2._wp * dy)
! Correct cell volume calculation
cell_volume = dx * dy
if (num_dims == 3) then
pressure_divergence(3) = (pressure(i,j,k+1) - pressure(i,j,k-1)) / (2._wp * dz)
cell_volume = cell_volume * dz
end if
forces(ib_idx, :) = forces(ib_idx, :) - (pressure_divergence * cell_volume)
...
end do
end do
end do
end subroutine
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| Original file line number | Diff line number | Diff line change | ||
|---|---|---|---|---|
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@@ -101,7 +101,6 @@ contains | |||
| end if | ||||
| call s_update_ib_rotation_matrix(i) | ||||
| end do | ||||
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| $:GPU_ENTER_DATA(copyin='[patch_ib]') | ||||
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| ! Allocating the patch identities bookkeeping variable | ||||
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@@ -197,6 +196,19 @@ contains | |||
| type(ghost_point) :: gp | ||||
| type(ghost_point) :: innerp | ||||
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| ! set the Moving IBM interior Pressure Values | ||||
| $:GPU_PARALLEL_LOOP(private='[i,j,k]', copyin='[E_idx]', collapse=3) | ||||
| do l = 0, p | ||||
| do k = 0, n | ||||
| do j = 0, m | ||||
| if (ib_markers%sf(j, k, l) /= 0) then | ||||
| q_prim_vf(E_idx)%sf(j, k, l) = 1._wp | ||||
| end if | ||||
| end do | ||||
| end do | ||||
| end do | ||||
| $:END_GPU_PARALLEL_LOOP() | ||||
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||||
| if (num_gps > 0) then | ||||
| $:GPU_PARALLEL_LOOP(private='[i,physical_loc,dyn_pres,alpha_rho_IP, alpha_IP,pres_IP,vel_IP,vel_g,vel_norm_IP,r_IP, v_IP,pb_IP,mv_IP,nmom_IP,presb_IP,massv_IP,rho, gamma,pi_inf,Re_K,G_K,Gs,gp,innerp,norm,buf, radial_vector, rotation_velocity, j,k,l,q,qv_K,c_IP,nbub,patch_id]') | ||||
| do i = 1, num_gps | ||||
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@@ -244,6 +256,18 @@ contains | |||
| if (surface_tension) then | ||||
| q_prim_vf(c_idx)%sf(j, k, l) = c_IP | ||||
| end if | ||||
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| ! set the pressure | ||||
| if (patch_ib(patch_id)%moving_ibm == 0) then | ||||
| q_prim_vf(E_idx)%sf(j, k, l) = pres_IP | ||||
| else | ||||
| q_prim_vf(E_idx)%sf(j, k, l) = 0._wp | ||||
| $:GPU_LOOP(parallelism='[seq]') | ||||
| do q = 1, num_fluids | ||||
| q_prim_vf(E_idx)%sf(j, k, l) = q_prim_vf(E_idx)%sf(j, k, l) + pres_IP/(1._wp - 2._wp*abs(levelset%sf(j, k, l, patch_id)*alpha_rho_IP(q)/pres_IP)*dot_product(patch_ib(patch_id)%force/patch_ib(patch_id)%mass, levelset_norm%sf(j, k, l, patch_id, :))) | ||||
| end do | ||||
| end if | ||||
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| if (model_eqns /= 4) then | ||||
| ! If in simulation, use acc mixture subroutines | ||||
| if (elasticity) then | ||||
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@@ -969,6 +993,78 @@ contains | |||
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| end subroutine s_update_mib | ||||
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| ! compute the surface integrals of the IB via a volume integraion method described in | ||||
| ! "A coupled IBM/Euler-Lagrange framework for simulating shock-induced particle size segregation" | ||||
| ! by Archana Sridhar and Jesse Capecelatro | ||||
| subroutine s_compute_ib_forces(pressure) | ||||
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| real(wp), dimension(0:m, 0:n, 0:p), intent(in) :: pressure | ||||
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| integer :: i, j, k, ib_idx | ||||
| real(wp), dimension(num_ibs, 3) :: forces, torques | ||||
| real(wp), dimension(1:3) :: pressure_divergence, radial_vector | ||||
| real(wp) :: cell_volume, dx, dy, dz | ||||
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| forces = 0._wp | ||||
| torques = 0._wp | ||||
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| ! TODO :: This is currently only valid inviscid, and needs to be extended to add viscocity | ||||
| $:GPU_PARALLEL_LOOP(private='[ib_idx,radial_vector,pressure_divergence,cell_volume, dx, dy, dz]', copy='[forces,torques]', copyin='[ib_markers]', collapse=3) | ||||
| do i = 0, m | ||||
| do j = 0, n | ||||
| do k = 0, p | ||||
| ib_idx = ib_markers%sf(i, j, k) | ||||
| if (ib_idx /= 0) then ! only need to compute the gradient for cells inside a IB | ||||
| if (patch_ib(ib_idx)%moving_ibm == 2) then ! make sure that this IB has 2-way coupling enabled | ||||
| ! get the vector pointing to the grid cell from the IB centroid | ||||
| if (num_dims == 3) then | ||||
| radial_vector = [x_cc(i), y_cc(j), z_cc(k)] - [patch_ib(ib_idx)%x_centroid, patch_ib(ib_idx)%y_centroid, patch_ib(ib_idx)%z_centroid] | ||||
| else | ||||
| radial_vector = [x_cc(i), y_cc(j), 0._wp] - [patch_ib(ib_idx)%x_centroid, patch_ib(ib_idx)%y_centroid, 0._wp] | ||||
| end if | ||||
| dx = x_cc(i + 1) - x_cc(i) | ||||
| dy = y_cc(j + 1) - y_cc(j) | ||||
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| ! use a finite difference to compute the 2D components of the gradient of the pressure and cell volume | ||||
| pressure_divergence(1) = (pressure(i + 1, j, k) - pressure(i - 1, j, k))/(2._wp*dx) | ||||
| pressure_divergence(2) = (pressure(i, j + 1, k) - pressure(i, j - 1, k))/(2._wp*dy) | ||||
| cell_volume = dx*dy | ||||
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| ! add the 3D component, if we are working in 3 dimensions | ||||
| if (num_dims == 3) then | ||||
| dz = z_cc(k + 1) - z_cc(k) | ||||
| pressure_divergence(3) = (pressure(i, j, k + 1) - pressure(i, j, k - 1))/(2._wp*dz) | ||||
| cell_volume = cell_volume*dz | ||||
| else | ||||
| pressure_divergence(3) = 0._wp | ||||
| end if | ||||
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| ! Update the force values atomically to prevent race conditions | ||||
| $:GPU_ATOMIC(atomic='update') | ||||
| forces(ib_idx, :) = forces(ib_idx, :) - (pressure_divergence*cell_volume) | ||||
| $:GPU_ATOMIC(atomic='update') | ||||
| torques(ib_idx, :) = torques(ib_idx, :) - (cross_product(radial_vector, pressure_divergence)*cell_volume) | ||||
| end if | ||||
| end if | ||||
| end do | ||||
| end do | ||||
| end do | ||||
| $:END_GPU_PARALLEL_LOOP() | ||||
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| ! reduce the forces across all MPI ranks | ||||
| call s_mpi_allreduce_vectors_sum(forces, forces, num_ibs, 3) | ||||
| call s_mpi_allreduce_vectors_sum(torques, torques, num_ibs, 3) | ||||
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| ! apply the summed forces | ||||
| do i = 1, num_ibs | ||||
| patch_ib(i)%force(:) = forces(i, :) | ||||
| patch_ib(i)%torque(:) = matmul(patch_ib(i)%rotation_matrix_inverse, torques(i, :)) ! torques must be computed in the local coordinates of the IB | ||||
| end do | ||||
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| print *, forces(1, 1:2) | ||||
|
Contributor
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Remove debug print statement. This debug output will produce excessive noise in production runs. Remove or guard with a debug flag. - print *, forces(1, 1:2)📝 Committable suggestion
Suggested change
🤖 Prompt for AI Agents
Contributor
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. P2: Debug print statement should be removed before merging. This will pollute output logs and may cause performance issues in parallel execution. Prompt for AI agents |
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| end subroutine s_compute_ib_forces | ||||
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| !> Subroutine to deallocate memory reserved for the IBM module | ||||
| impure subroutine s_finalize_ibm_module() | ||||
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@@ -978,6 +1074,77 @@ contains | |||
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| end subroutine s_finalize_ibm_module | ||||
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| subroutine s_compute_moment_of_inertia(ib_marker, axis) | ||||
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| real(wp), dimension(3), optional :: axis !< the axis about which we compute the moment. Only required in 3D. | ||||
| integer, intent(in) :: ib_marker | ||||
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| real(wp) :: moment, distance_to_axis, cell_volume | ||||
| real(wp), dimension(3) :: position, closest_point_along_axis, vector_to_axis | ||||
| integer :: i, j, k, count | ||||
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| if (p == 0) then | ||||
| axis = [0, 1, 0] | ||||
| else if (sqrt(sum(axis**2)) == 0) then | ||||
| ! if the object is not actually rotating at this time, return a dummy value and exit | ||||
| patch_ib(ib_marker)%moment = 1._wp | ||||
| return | ||||
| else | ||||
| axis = axis/sqrt(sum(axis)) | ||||
| end if | ||||
|
Comment on lines
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Contributor
There was a problem hiding this comment. Choose a reason for hiding this commentThe reason will be displayed to describe this comment to others. Learn more. Optional argument handling issue in 2D case. When -subroutine s_compute_moment_of_inertia(ib_marker, axis)
+subroutine s_compute_moment_of_inertia(ib_marker, axis_in)
- real(wp), dimension(3), optional :: axis !< the axis about which we compute the moment. Only required in 3D.
+ real(wp), dimension(3), intent(in), optional :: axis_in !< the axis about which we compute the moment. Only required in 3D.
integer, intent(in) :: ib_marker
real(wp) :: moment, distance_to_axis, cell_volume
- real(wp), dimension(3) :: position, closest_point_along_axis, vector_to_axis
+ real(wp), dimension(3) :: position, closest_point_along_axis, vector_to_axis, axis
integer :: i, j, k, count
if (p == 0) then
- axis = [0, 1, 0]
- else if (sqrt(sum(axis**2)) == 0) then
+ axis = [0._wp, 0._wp, 1._wp]
+ else if (.not. present(axis_in) .or. sqrt(sum(axis_in**2)) < 1.e-16_wp) then
! if the object is not actually rotating at this time, return a dummy value and exit
patch_ib(ib_marker)%moment = 1._wp
return
else
- axis = axis/sqrt(sum(axis))
+ axis = axis_in/sqrt(sum(axis_in**2))
end if
🤖 Prompt for AI Agents |
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| ! if the IB is in 2D or a 3D sphere, we can compute this exactly | ||||
| if (patch_ib(ib_marker)%geometry == 2) then ! circle | ||||
| patch_ib(ib_marker)%moment = 0.5*patch_ib(ib_marker)%mass*(patch_ib(ib_marker)%radius)**2 | ||||
| elseif (patch_ib(ib_marker)%geometry == 3) then ! rectangle | ||||
| patch_ib(ib_marker)%moment = patch_ib(ib_marker)%mass*(patch_ib(ib_marker)%length_x**2 + patch_ib(ib_marker)%length_y**2)/6._wp | ||||
| elseif (patch_ib(ib_marker)%geometry == 8) then ! sphere | ||||
| patch_ib(ib_marker)%moment = 0.4*patch_ib(ib_marker)%mass*(patch_ib(ib_marker)%radius)**2 | ||||
|
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| else ! we do not have an analytic moment of inertia calculation and need to approximate it directly | ||||
| count = 0 | ||||
| moment = 0._wp | ||||
| cell_volume = (x_cc(1) - x_cc(0))*(y_cc(1) - y_cc(0)) ! computed without grid stretching. Update in the loop to perform with stretching | ||||
| if (p /= 0) then | ||||
| cell_volume = cell_volume*(z_cc(1) - z_cc(0)) | ||||
| end if | ||||
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| $:GPU_PARALLEL_LOOP(private='[position,closest_point_along_axis,vector_to_axis,distance_to_axis]', copy='[moment,count]', copyin='[ib_marker,cell_volume,axis]', collapse=3) | ||||
| do i = 0, m | ||||
| do j = 0, n | ||||
| do k = 0, p | ||||
| if (ib_markers%sf(i, j, k) == ib_marker) then | ||||
| $:GPU_ATOMIC(atomic='update') | ||||
| count = count + 1 ! increment the count of total cells in the boundary | ||||
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| ! get the position in local coordinates so that the axis passes through 0, 0, 0 | ||||
| if (p == 0) then | ||||
| position = [x_cc(i), y_cc(j), 0._wp] - [patch_ib(ib_marker)%x_centroid, patch_ib(ib_marker)%y_centroid, 0._wp] | ||||
| else | ||||
| position = [x_cc(i), y_cc(j), z_cc(k)] - [patch_ib(ib_marker)%x_centroid, patch_ib(ib_marker)%y_centroid, patch_ib(ib_marker)%z_centroid] | ||||
| end if | ||||
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| ! project the position along the axis to find the closest distance to the rotation axis | ||||
| closest_point_along_axis = axis*dot_product(axis, position) | ||||
| vector_to_axis = position - closest_point_along_axis | ||||
| distance_to_axis = dot_product(vector_to_axis, vector_to_axis) ! saves the distance to the axis squared | ||||
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| ! compute the position component of the moment | ||||
| $:GPU_ATOMIC(atomic='update') | ||||
| moment = moment + distance_to_axis | ||||
| end if | ||||
| end do | ||||
| end do | ||||
| end do | ||||
| $:END_GPU_PARALLEL_LOOP() | ||||
|
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| ! write the final moment assuming the points are all uniform density | ||||
| patch_ib(ib_marker)%moment = moment*patch_ib(ib_marker)%mass/(count*cell_volume) | ||||
| $:GPU_UPDATE(device='[patch_ib(ib_marker)%moment]') | ||||
| end if | ||||
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| end subroutine s_compute_moment_of_inertia | ||||
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| function cross_product(a, b) result(c) | ||||
| implicit none | ||||
| real(wp), intent(in) :: a(3), b(3) | ||||
|
|
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P2: Misleading comment: The comment says
# z-axis rotationbut this parameter sets the mass of the immersed boundary, not rotation. This appears to be a copy-paste error from the previous line.Prompt for AI agents