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Fix/Add Patches 13 (2D modal) and 14 (3D spherical harmonics)#1163

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Fix/Add Patches 13 (2D modal) and 14 (3D spherical harmonics)#1163
ChrisZYJ wants to merge 10 commits intoMFlowCode:masterfrom
ChrisZYJ:modal_shapes

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@ChrisZYJ ChrisZYJ commented Feb 19, 2026

User description

Description

This PR fixes the 3D spherical harmonics and adds a dedicated 2D modal patch type:

  • Geometry 13 is 2D modal (Fourier), with explicit fourier_cos/fourier_sin, optional additive vs. exponential form, and optional radius clipping.

  • Geometry 14 is 3D spherical harmonics and uses real spherical harmonics with an explicit sph_har_coeff(l,m) surface definition. It replaces the old spherical-harmonic subroutine, which had buggy and undocumented behavior. There are no backward compatibility issues, as the original Geometry 14 was not used in any examples or tests. This PR adds clear examples and documentation.

Type of change

  • Bug fix
  • New feature
  • Refactor
  • Documentation
  • Other: describe

Testing

image image

Checklist

  • I added or updated tests for new behavior (as examples)
  • I updated documentation if user-facing behavior changed

See the developer guide for full coding standards.

GPU changes (expand if you modified src/simulation/)
  • GPU results match CPU results
  • Tested on NVIDIA GPU or AMD GPU

CodeAnt-AI Description

Add 2D Fourier modal patch (geometry 13) and correct 3D spherical-harmonic patch (geometry 14)

What Changed

  • New geometry 13: define a 2D boundary by centroid + radius modulated by per-mode Fourier cos/sin amplitudes (modes 1–10); supports additive or exponential forms and optional minimum-radius clipping; included input validation, broadcasting, defaults, and example cases.
  • Geometry 14 replaced the previous spherical-harmonic routine with a robust real spherical-harmonic surface: users set centroid + radius and per-(l,m) real coefficients (l=0..5, m=-l..l); the code now computes theta/phi safely near the centroid and sums Y_lm contributions; included input validation, broadcasting, defaults, and an example case.
  • Math helpers and constants added: real Y_lm and associated Legendre routines with domain guards, max mode/degree limits, and a tiny radius cutoff to avoid division-by-zero near the patch center; parameter registry, docs, and examples updated to expose new inputs.

Impact

✅ New 2D modal boundary shapes available for 2D cases
✅ Clearer and correct 3D spherical-harmonic surfaces from explicit coefficients
✅ Fewer numerical errors near patch centroids (no division-by-zero)

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@codeant-ai codeant-ai bot added the size:XXL This PR changes 1000+ lines, ignoring generated files label Feb 19, 2026
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No issues found across 22 files

Confidence score: 5/5

  • Automated review surfaced no issues in the provided summaries.
  • No files require special attention.

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Actionable comments posted: 3

🧹 Nitpick comments (3)
tests/1967AE06/golden-metadata.txt (1)

7-7: Golden metadata generated from a dirty working tree.

The git state shows (dirty), meaning there were uncommitted changes when this golden file was generated. Consider regenerating the golden files from a clean commit to ensure the test baselines are reproducible and traceable. Based on learnings: "Run ./mfc.sh test locally before requesting review" and "Use ./mfc.sh test --generate -o <test_id> to create golden files for new test cases."

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@tests/1967AE06/golden-metadata.txt` at line 7, The golden metadata shows a
"(dirty)" git state which means it was generated with uncommitted changes; to
fix, reset or commit your working tree so it's clean, regenerate the golden file
for the test ID 1967AE06 by running the referenced test-generation command (e.g.
run ./mfc.sh test --generate -o 1967AE06 or run ./mfc.sh test locally) and
replace tests/1967AE06/golden-metadata.txt with the new output so the Git line
no longer contains "(dirty)" and the baseline is reproducible.
examples/2D_patch_modal_shape_exp/case.py (1)

7-7: Nit: Define Ly explicitly for clarity.

Lx is used for both length_x and length_y (line 74). The additive-form example defines both Lx, Ly. For consistency and readability, consider defining Ly = 8.0 explicitly here too.

Proposed fix
-Lx = 8.0
+Lx, Ly = 8.0, 8.0

and

-            "patch_icpp(1)%length_y": Lx,
+            "patch_icpp(1)%length_y": Ly,

Also applies to: 73-74

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@examples/2D_patch_modal_shape_exp/case.py` at line 7, Define Ly explicitly to
match Lx instead of reusing Lx for both dimensions: add a line setting Ly = 8.0
and update any places that set length_y (or pass length_y) to use Ly (e.g.,
where length_x and length_y are supplied) so the mesh/patch geometry uses Lx and
Ly separately; update the example to mirror the additive-form pattern.
src/common/m_derived_types.fpp (1)

219-232: Verify all three executables after extending ic_patch_parameters.

Since this type lives in src/common, please confirm pre_process, simulation, and post_process builds/tests still pass with the new fields.

Based on learnings: "Code in src/common/ affects all three executables (pre_process, simulation, post_process). Changes here have wide blast radius and require testing all three targets."

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/common/m_derived_types.fpp` around lines 219 - 232, You extended the
derived type used across executables (see ic_patch_parameters in
m_derived_types.fpp and nearby fields like fourier_cos, fourier_sin,
modal_clip_r_to_min, modal_r_min, modal_use_exp_form, sph_har_coeff), so rebuild
and run all three targets: pre_process, simulation, and post_process; fix any
compile/link errors by updating all modules and call sites that reference
ic_patch_parameters (parsing, I/O/serialization, initial-condition setup),
update any input/config files or unit tests that instantiate this type, and run
the test suites for each executable to confirm no runtime failures.
🤖 Prompt for all review comments with AI agents
Verify each finding against the current code and only fix it if needed.

Inline comments:
In `@docs/documentation/case.md`:
- Around line 1105-1117: The inline LaTeX math in the Geometry 13 documentation
uses $...$ which fails the linter; update every inline occurrence to use the
sphinx-friendly \f$...\f$ form (e.g., replace θ = atan2(...) written as $...$
with \f$...\f$ and similarly for R_boundary, radius, fourier_cos, fourier_sin,
modal_use_exp_form, modal_clip_r_to_min, modal_r_min expressions); do not change
the math content, only swap the inline delimiters throughout that paragraph so
the formulas remain identical but use \f$...\f$.

In `@src/pre_process/m_icpp_patches.fpp`:
- Around line 1042-1152: Both s_icpp_2d_modal and s_icpp_3d_spherical_harmonic
are missing the analytic/hardcoded override hooks used by other patch routines;
add the same call sequence used elsewhere so analytic expressions or hardcoded
patches can override before falling back to s_assign_patch_primitive_variables.
Specifically, at the site where you currently call
s_assign_patch_primitive_variables (inside the if that checks r<=R and
alter_patch/smooth_patch_id), first invoke the project's analytical override
hook and the hardcoded override hook (the same functions/calls used by other
s_icpp_* routines), and only call s_assign_patch_primitive_variables when those
hooks did not perform an override; make the change in both s_icpp_2d_modal and
s_icpp_3d_spherical_harmonic.

In `@tests/87FBC893/golden-metadata.txt`:
- Around line 5-7: The golden-metadata.txt files contain machine-specific
absolute paths and git state and should not be tracked; update .gitignore to
stop forcing these files into the repo by removing or changing the negated
pattern `!/tests/*/golden-metadata.txt` (or add an explicit ignore entry for
tests/*/golden-metadata.txt), then untrack existing committed files (e.g., git
rm --cached tests/*/golden-metadata.txt) and commit the change so future runs
don’t produce spurious diffs; ensure any CI that relied on these files is
adjusted to regenerate them as needed.

---

Duplicate comments:
In `@tests/3F864CFF/golden-metadata.txt`:
- Around line 5-7: The golden-metadata file contains machine-specific and
working-tree state data (lines starting with "Invocation:", "Lock:", and "Git:")
that makes tests non-deterministic; update the metadata generation so it does
not embed local invocation paths or the dirty branch state: remove or normalize
the "Invocation:" path, remove machine-specific "Lock:" details or replace with
stable feature flags, and ensure "Git:" records a stable commit hash only (no
branch name or "dirty" marker) or use a placeholder when the repo isn't clean.
Locate the code that writes golden-metadata.txt (search for writers emitting the
"Invocation:", "Lock:", or "Git:" strings) and change it to emit
normalized/placeholder values or omit these lines so the golden file is
machine-independent.

---

Nitpick comments:
In `@examples/2D_patch_modal_shape_exp/case.py`:
- Line 7: Define Ly explicitly to match Lx instead of reusing Lx for both
dimensions: add a line setting Ly = 8.0 and update any places that set length_y
(or pass length_y) to use Ly (e.g., where length_x and length_y are supplied) so
the mesh/patch geometry uses Lx and Ly separately; update the example to mirror
the additive-form pattern.

In `@src/common/m_derived_types.fpp`:
- Around line 219-232: You extended the derived type used across executables
(see ic_patch_parameters in m_derived_types.fpp and nearby fields like
fourier_cos, fourier_sin, modal_clip_r_to_min, modal_r_min, modal_use_exp_form,
sph_har_coeff), so rebuild and run all three targets: pre_process, simulation,
and post_process; fix any compile/link errors by updating all modules and call
sites that reference ic_patch_parameters (parsing, I/O/serialization,
initial-condition setup), update any input/config files or unit tests that
instantiate this type, and run the test suites for each executable to confirm no
runtime failures.

In `@tests/1967AE06/golden-metadata.txt`:
- Line 7: The golden metadata shows a "(dirty)" git state which means it was
generated with uncommitted changes; to fix, reset or commit your working tree so
it's clean, regenerate the golden file for the test ID 1967AE06 by running the
referenced test-generation command (e.g. run ./mfc.sh test --generate -o
1967AE06 or run ./mfc.sh test locally) and replace
tests/1967AE06/golden-metadata.txt with the new output so the Git line no longer
contains "(dirty)" and the baseline is reproducible.

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Actionable comments posted: 1

🤖 Prompt for all review comments with AI agents
Verify each finding against the current code and only fix it if needed.

Inline comments:
In `@docs/documentation/case.md`:
- Around line 1105-1117: The docs lack a Geometry 14 description for 3D
spherical-harmonic surfaces; add a block matching Geometry 13 that explains
coordinate conventions and coefficient semantics: describe that Geometry 14 (3D
spherical harmonic) defines the surface as r(θ,φ)=radius + sum_{l,m}
sph_har_coeff(l,m) * Y_l^m(θ,φ) (or an exponential variant if you support
modal_use_exp_form), state the polar and azimuthal conventions θ = acos(z/r) and
φ = atan2(y,x) relative to the centroid, clarify that the implementation uses a
real-Ylm basis and list the coefficient indexing (l = 0..L, m = -l..l) and
whether coefficients are absolute (length) or relative (dimensionless) and any
clipping behavior analogous to modal_clip_r_to_min/modal_r_min.

---

Duplicate comments:
In `@src/pre_process/m_icpp_patches.fpp`:
- Around line 1146-1156: The s_icpp_3d_spherical_harmonic subroutine is missing
the same hooks/bookkeeping/Fypp macros and local declarations present in other
3D patch routines; add the same variable declarations (analytical flags,
Hardcoded3D markers, bookkeeping arrays/indices and any Fypp-generated locals)
near the existing declarations around where s_icpp_3d_spherical_harmonic begins
(matching the pattern used in s_icpp_2d_modal and other 3D routines), insert the
analytical/@:Hardcoded3D/Fypp macro calls and bookkeeping statements immediately
after the call to s_assign_patch_primitive_variables(patch_id, i, j, k,
eta_local, q_prim_vf, patch_id_fp) to mirror other patches, and ensure any
allocated bookkeeping arrays are deallocated before the end of the subroutine to
match the resource handling in the other 3D patch implementations.
- Around line 1086-1095: In s_icpp_2d_modal, add the missing
analytical/hardcoded hooks, bookkeeping update, and Fypp variable/deallocation
macros: declare the
HardcodedDimensionsExtrusion()/Hardcoded2DVariables()/HardcodedDellacation()
variables near the existing declarations at the top of the subroutine, after the
declaration block around line ~1056; immediately after the call to
s_assign_patch_primitive_variables(patch_id, i, j, 0, eta, q_prim_vf,
patch_id_fp) insert calls to @:analytical() and an if-block for @:Hardcoded2D()
and update the patch_id_fp bookkeeping (set patch_id_fp(i,j,0)=patch_id where
appropriate); finally add the Fypp deallocation macro invocation
(HardcodedDellacation()) before the end of subroutine s_icpp_2d_modal so the
hardcoded 2D variables are cleaned up.

@codecov
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codecov bot commented Feb 19, 2026

Codecov Report

❌ Patch coverage is 63.20755% with 39 lines in your changes missing coverage. Please review.
✅ Project coverage is 44.43%. Comparing base (df28255) to head (311a311).
⚠️ Report is 29 commits behind head on master.

Files with missing lines Patch % Lines
src/pre_process/m_icpp_patches.fpp 58.33% 19 Missing and 6 partials ⚠️
src/common/m_helper.fpp 62.50% 6 Missing and 3 partials ⚠️
src/pre_process/m_check_patches.fpp 58.33% 5 Missing ⚠️
Additional details and impacted files
@@            Coverage Diff             @@
##           master    #1163      +/-   ##
==========================================
+ Coverage   44.05%   44.43%   +0.37%     
==========================================
  Files          70       70              
  Lines       20496    20502       +6     
  Branches     1989     1995       +6     
==========================================
+ Hits         9030     9110      +80     
+ Misses      10328    10244      -84     
- Partials     1138     1148      +10     

☔ View full report in Codecov by Sentry.
📢 Have feedback on the report? Share it here.

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@ChrisZYJ
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@sbryngelson I think this PR is ready. Could you please take a look? Thank you.

@sbryngelson
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i need to force it to run benchmark for now, since i somehow partially broke that and also we now have many amdflang workarounds for case optimization (used in benchmark)

@codeant-ai codeant-ai bot added size:XXL This PR changes 1000+ lines, ignoring generated files and removed size:XXL This PR changes 1000+ lines, ignoring generated files labels Feb 19, 2026
@codeant-ai codeant-ai bot added size:XXL This PR changes 1000+ lines, ignoring generated files and removed size:XXL This PR changes 1000+ lines, ignoring generated files labels Feb 22, 2026
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Actionable comments posted: 5

Caution

Some comments are outside the diff and can’t be posted inline due to platform limitations.

⚠️ Outside diff range comments (1)
src/pre_process/m_check_patches.fpp (1)

253-277: ⚠️ Potential issue | 🟠 Major

Add validation checks in toolchain/mfc/case_validator.py for geometry 13/14 modal and spherical harmonic parameters.

The new parameters fourier_cos/sin(1-10), modal_clip_r_to_min, modal_r_min, modal_use_exp_form, and spherical harmonic coefficients are registered in definitions.py but lack corresponding validation in the case validator. Per project standards, add geometry-type-specific checks (e.g., check_patch_icpp_geometry_modal_ and check_patch_icpp_geometry_spherical_harmonic_) to validate:

  • Fourier coefficient indexing and value ranges
  • Modal option consistency (clip_r_to_min, r_min, use_exp_form constraints)
  • Spherical harmonic coefficient ranges and completeness

Also document these validations in the PHYSICS_DOCS dict as required.

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/pre_process/m_check_patches.fpp` around lines 253 - 277, Add
geometry-type-specific validation to toolchain/mfc/case_validator.py: implement
check_patch_icpp_geometry_modal_ (called for geometry types 13/14 modal) to
verify Fourier coefficients fourier_cos1..fourier_cos10 and
fourier_sin1..fourier_sin10 are only indexed 1..10, numeric and within allowed
ranges, and to enforce modal option consistency: if modal_clip_r_to_min is true
then modal_r_min must be present and >0, modal_r_min must be >=0 when set, and
modal_use_exp_form must be a valid boolean flag (and incompatible combinations
flagged). Implement check_patch_icpp_geometry_spherical_harmonic_ to ensure
spherical harmonic coefficient sets are complete for required orders, each
coefficient is numeric and within valid ranges, and required centroids/radius
checks are present. Register these new checks where other patch_icpp geometry
checks are invoked and add concise entries describing the modal and spherical
harmonic validations to the PHYSICS_DOCS dict.
🧹 Nitpick comments (2)
src/common/m_constants.fpp (1)

18-30: Run pre_process, simulation, and post_process tests for this common change.
These constants live in src/common/, so a full three-target test sweep is prudent.

Based on learnings: Code in src/common/ affects all three executables (pre_process, simulation, post_process) - changes have wide blast radius and must be tested thoroughly.

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/common/m_constants.fpp` around lines 18 - 30, Changes to common constants
in src/common/m_constants.fpp (e.g., small_radius, num_fluids_max,
num_probes_max, num_patches_max, num_bc_patches_max, max_2d_fourier_modes,
max_sph_harm_degree) can impact all three executables; run the full test sweep:
build and run the pre_process, simulation, and post_process targets (or their
respective test suites) and verify no regressions or failures, paying special
attention to code paths that read these parameters (stencil logic, Fourier/modal
routines, spherical-harmonic geometry 14, and fluid/probe/patch allocation) and
update any dependent tests or bounds if failures surface.
src/common/m_helper.fpp (1)

569-572: m_order <= 0 is always m_order == 0 after the domain guard

After the early-return check on line 564 (m_order < 0 → return), the remaining code has m_order >= 0 guaranteed. The conditions m_order <= 0 on lines 569 and 571 are therefore equivalent to m_order == 0, which is clearer and reflects the actual intent.

♻️ Optional readability cleanup
-        if (m_order <= 0 .and. l <= 0) then
+        if (m_order == 0 .and. l == 0) then
             result_P = 1._wp
-        elseif (l == 1 .and. m_order <= 0) then
+        elseif (l == 1 .and. m_order == 0) then
             result_P = x
🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/common/m_helper.fpp` around lines 569 - 572, The conditions using
"m_order <= 0" are misleading because earlier code already guards out negative
m_order, so update the checks in this routine (referencing m_order and result_P
in src/common/m_helper.fpp) to use "m_order == 0" instead of "<= 0" (apply to
both occurrences that set result_P = 1._wp and result_P = x) to reflect the
actual domain and intent.
🤖 Prompt for all review comments with AI agents
Verify each finding against the current code and only fix it if needed.

Inline comments:
In `@src/common/m_helper.fpp`:
- Line 538: The current prefac computation in real_ylm uses factorial(...) which
returns int64 and overflows for l+|m|≥21; replace the factorial-based ratio with
an overflow-safe log-gamma formulation: use the Fortran intrinsic log_gamma to
compute the log of factorials (log_gamma(n+1) == log(n!)) and compute the ratio
via exp(log_gamma(l - m_abs + 1) - log_gamma(l + m_abs + 1)) inside the sqrt,
keeping the rest of the expression (2*l+1)/(4._wp*pi) unchanged; update the
prefac assignment (the prefac symbol inside real_ylm) to use this log-gamma/exp
form so normalization is correct for all l and m.
- Line 579: The expression computing result_P uses double_factorial(2*l - 1)
which returns int64 and overflows for l≥18; replace the large-integer factorial
path with an overflow-free computation: compute P_l^l without calling
double_factorial by either (a) using the same real-type accumulation approach
used in real_ylm (convert multipliers to real(wp) and multiply progressively to
form the diagonal term) or (b) iteratively accumulate the diagonal recurrence
starting from P_0^0 = 1 and applying the diagonal step l times to produce
result_P; update the code that sets result_P to use one of these overflow-safe
strategies instead of real(double_factorial(...), wp).

In `@src/pre_process/m_check_patches.fpp`:
- Around line 253-264: In s_check_2d_modal_patch_geometry add validation for
patch_icpp(patch_id)%modal_r_min when patch_icpp(patch_id)%modal_clip_r_to_min
is true: check that modal_r_min is set (not f_is_default) and greater than zero
(and optionally less than or equal to patch_icpp(patch_id)%radius) by adding
appropriate @:PROHIBIT checks that reference
patch_icpp(patch_id)%modal_clip_r_to_min and patch_icpp(patch_id)%modal_r_min to
fail fast when clipping is enabled but the minimum radius is unset or
non-positive.

In `@src/pre_process/m_icpp_patches.fpp`:
- Around line 1153-1156: The code currently calls
s_assign_patch_primitive_variables for 3D spherical-harmonic patches but does
not update the bookkeeping array patch_id_fp, which breaks later alter/smoothing
logic; after the call to s_assign_patch_primitive_variables (inside the same
conditional that checks patch_icpp(patch_id)%alter_patch and smooth_patch_id)
set patch_id_fp(i, j, k) to patch_id so the footprint reflects the new
assignment, ensuring subsequent tests against patch_id_fp, smooth_patch_id, and
alter_patch behave correctly.
- Around line 1093-1096: After calling s_assign_patch_primitive_variables for 2D
modal patches you must update the patch bookkeeping so subsequent checks (e.g.
patch_icpp(...)%alter_patch(...) and smoothing using smooth_patch_id) see the
new owner; modify the branch that currently calls
s_assign_patch_primitive_variables(patch_id, i, j, 0, ...) to also set
patch_id_fp(i, j, 0) = patch_id immediately after the call so patch_id_fp
reflects the assignment.

---

Outside diff comments:
In `@src/pre_process/m_check_patches.fpp`:
- Around line 253-277: Add geometry-type-specific validation to
toolchain/mfc/case_validator.py: implement check_patch_icpp_geometry_modal_
(called for geometry types 13/14 modal) to verify Fourier coefficients
fourier_cos1..fourier_cos10 and fourier_sin1..fourier_sin10 are only indexed
1..10, numeric and within allowed ranges, and to enforce modal option
consistency: if modal_clip_r_to_min is true then modal_r_min must be present and
>0, modal_r_min must be >=0 when set, and modal_use_exp_form must be a valid
boolean flag (and incompatible combinations flagged). Implement
check_patch_icpp_geometry_spherical_harmonic_ to ensure spherical harmonic
coefficient sets are complete for required orders, each coefficient is numeric
and within valid ranges, and required centroids/radius checks are present.
Register these new checks where other patch_icpp geometry checks are invoked and
add concise entries describing the modal and spherical harmonic validations to
the PHYSICS_DOCS dict.

---

Duplicate comments:
In `@docs/documentation/case.md`:
- Around line 1105-1117: Add a full descriptive block for "Geometry 14"
mirroring the level of detail in "Geometry 13": define the coordinate convention
(how θ is computed, e.g., θ = atan2(y - y_centroid, x - x_centroid)), specify
the basis and functional form(s) (additive vs exponential controlled by
modal_use_exp_form), show the exact formulas for R_boundary using the same
coefficient naming scheme (e.g., fourier_cos(n), fourier_sin(n) or equivalent),
describe coefficient indexing and units (absolute vs relative), and document
clipping behavior and knobs (modal_clip_r_to_min, modal_r_min, clipping negative
R_boundary to zero) so readers can unambiguously reproduce and interpret
Geometry 14.

In `@src/pre_process/m_icpp_patches.fpp`:
- Around line 1093-1096: The block that calls s_assign_patch_primitive_variables
for patch faces (using patch_id_fp, patch_icpp%alter_patch, smooth_patch_id)
lacks the analytical/hardcoded geometry overrides for geometry types 13 and 14;
update this conditional branch to call the same analytical/hardcoded initializer
hooks used by other patch initializers when patch_icpp(patch_id)%geometry equals
13 or 14 (and/or when patch_id_fp indicates those geometries), ensuring the code
invokes the hardcoded/analytical override paths before or instead of
s_assign_patch_primitive_variables for these geometry IDs so the analytical
hooks for geometry 13/14 are executed consistently.

---

Nitpick comments:
In `@src/common/m_constants.fpp`:
- Around line 18-30: Changes to common constants in src/common/m_constants.fpp
(e.g., small_radius, num_fluids_max, num_probes_max, num_patches_max,
num_bc_patches_max, max_2d_fourier_modes, max_sph_harm_degree) can impact all
three executables; run the full test sweep: build and run the pre_process,
simulation, and post_process targets (or their respective test suites) and
verify no regressions or failures, paying special attention to code paths that
read these parameters (stencil logic, Fourier/modal routines, spherical-harmonic
geometry 14, and fluid/probe/patch allocation) and update any dependent tests or
bounds if failures surface.

In `@src/common/m_helper.fpp`:
- Around line 569-572: The conditions using "m_order <= 0" are misleading
because earlier code already guards out negative m_order, so update the checks
in this routine (referencing m_order and result_P in src/common/m_helper.fpp) to
use "m_order == 0" instead of "<= 0" (apply to both occurrences that set
result_P = 1._wp and result_P = x) to reflect the actual domain and intent.

elseif (m_order > 0) then
Y = (-1._wp)**m_order*sqrt(2._wp)*prefactor*associated_legendre(x, l, m_order)*cos(m_order*phi);
x = cos(theta)
prefac = sqrt((2*l + 1)*real(factorial(l - m_abs), wp)/real(factorial(l + m_abs), wp)/(4._wp*pi))
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⚠️ Potential issue | 🟠 Major

factorial(l + m_abs) silently overflows int64 for l + |m| ≥ 21

factorial returns an int64 result. 20! ≈ 2.43 × 10¹⁸ fits (barely); 21! ≈ 5.11 × 10¹⁹ exceeds int64 max (≈ 9.22 × 10¹⁸), so the integer wraps silently before the real(…, wp) cast, producing a wrong normalization coefficient.

The PR currently restricts to modes 1–10 (max l + |m| = 20, right at the boundary), but real_ylm is a public API function and contains no guard that enforces this limit. A user supplying l = 11 would get silently wrong Y_lm values.

A numerically safer and overflow-free alternative is to compute the log-ratio directly:

🛡️ Suggested fix: log-gamma ratio for normalization
-        prefac = sqrt((2*l + 1)*real(factorial(l - m_abs), wp)/real(factorial(l + m_abs), wp)/(4._wp*pi))
+        ! Use log-gamma to avoid int64 overflow for large l
+        prefac = sqrt(real(2*l + 1, wp) &
+                      *exp(log_gamma(real(l - m_abs + 1, wp)) - log_gamma(real(l + m_abs + 1, wp))) &
+                      /(4._wp*pi))

log_gamma is a Fortran 2008 intrinsic (standard on all MFC-targeted compilers) and handles arbitrary l without overflow.

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/common/m_helper.fpp` at line 538, The current prefac computation in
real_ylm uses factorial(...) which returns int64 and overflows for l+|m|≥21;
replace the factorial-based ratio with an overflow-safe log-gamma formulation:
use the Fortran intrinsic log_gamma to compute the log of factorials
(log_gamma(n+1) == log(n!)) and compute the ratio via exp(log_gamma(l - m_abs +
1) - log_gamma(l + m_abs + 1)) inside the sqrt, keeping the rest of the
expression (2*l+1)/(4._wp*pi) unchanged; update the prefac assignment (the
prefac symbol inside real_ylm) to use this log-gamma/exp form so normalization
is correct for all l and m.

result_P = (-1)**l*double_factorial(2*l - 1)*(1 - x**2)**(l/2);
! P_l^l(x) = (-1)^l (2l-1)!! (1-x^2)^(l/2). Use real exponent for odd l
one_minus_x2 = max(0._wp, 1._wp - x**2)
result_P = (-1)**l*real(double_factorial(2*l - 1), wp)*one_minus_x2**(0.5_wp*real(l, wp))
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⚠️ Potential issue | 🟠 Major

double_factorial(2*l - 1) overflows int64 for l ≥ 18

double_factorial returns int64. 33!! ≈ 6.33 × 10¹⁸ fits; 35!! ≈ 2.22 × 10²⁰ overflows (l = 18, since 2×18−1 = 35). The subsequent real(…, wp) cast then silently returns a garbage P_l^l value.

For the current PR's l ≤ 10 use case this does not trigger (19!! ≈ 6.5 × 10⁸), but there is no guard inside the function. Consistent with the fix suggested for real_ylm, compute the diagonal term without large intermediate integers:

🛡️ Suggested fix for P_l^l
         elseif (m_order == l) then
-            ! P_l^l(x) = (-1)^l (2l-1)!! (1-x^2)^(l/2). Use real exponent for odd l
             one_minus_x2 = max(0._wp, 1._wp - x**2)
-            result_P = (-1)**l*real(double_factorial(2*l - 1), wp)*one_minus_x2**(0.5_wp*real(l, wp))
+            ! P_l^l via log-sum to avoid int64 overflow: (2l-1)!! = exp(sum_{k=1}^{l} log(2k-1))
+            block
+                integer :: k
+                real(wp) :: log_dfac
+                log_dfac = 0._wp
+                do k = 1, l
+                    log_dfac = log_dfac + log(real(2*k - 1, wp))
+                end do
+                result_P = real((-1)**l, wp)*exp(log_dfac)*one_minus_x2**(0.5_wp*real(l, wp))
+            end block

Alternatively, accumulate P_l^l iteratively (starting from P_0^0 = 1 and applying the diagonal step l times), which is fully overflow-free and avoids the recursive call chain.

🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/common/m_helper.fpp` at line 579, The expression computing result_P uses
double_factorial(2*l - 1) which returns int64 and overflows for l≥18; replace
the large-integer factorial path with an overflow-free computation: compute
P_l^l without calling double_factorial by either (a) using the same real-type
accumulation approach used in real_ylm (convert multipliers to real(wp) and
multiply progressively to form the diagonal term) or (b) iteratively accumulate
the diagonal recurrence starting from P_0^0 = 1 and applying the diagonal step l
times to produce result_P; update the code that sets result_P to use one of
these overflow-safe strategies instead of real(double_factorial(...), wp).

Comment on lines +253 to +264
impure subroutine s_check_2d_modal_patch_geometry(patch_id)
integer, intent(in) :: patch_id

call s_int_to_str(patch_id, iStr)

@:PROHIBIT(n == 0, "2D modal patch "//trim(iStr)//": n must be greater than zero")
@:PROHIBIT(p > 0, "2D modal patch "//trim(iStr)//": p must be zero")
@:PROHIBIT(patch_icpp(patch_id)%radius <= 0._wp, "2D modal patch "//trim(iStr)//": radius must be greater than zero")
@:PROHIBIT(f_is_default(patch_icpp(patch_id)%x_centroid), "2D modal patch "//trim(iStr)//": x_centroid must be set")
@:PROHIBIT(f_is_default(patch_icpp(patch_id)%y_centroid), "2D modal patch "//trim(iStr)//": y_centroid must be set")

end subroutine s_check_2d_modal_patch_geometry
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⚠️ Potential issue | 🟡 Minor

Validate modal_r_min when clipping is enabled.
If modal_clip_r_to_min is true but modal_r_min is unset or negative, the clip is ineffective or ambiguous. Consider enforcing a valid minimum.

🛠️ Suggested validation
 impure subroutine s_check_2d_modal_patch_geometry(patch_id)
@@
     @:PROHIBIT(f_is_default(patch_icpp(patch_id)%y_centroid), "2D modal patch "//trim(iStr)//": y_centroid must be set")
+    if (patch_icpp(patch_id)%modal_clip_r_to_min) then
+        @:PROHIBIT(f_is_default(patch_icpp(patch_id)%modal_r_min), &
+            "2D modal patch "//trim(iStr)//": modal_r_min must be set when modal_clip_r_to_min is true")
+        @:PROHIBIT(patch_icpp(patch_id)%modal_r_min < 0._wp, &
+            "2D modal patch "//trim(iStr)//": modal_r_min must be non-negative")
+    end if
🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/pre_process/m_check_patches.fpp` around lines 253 - 264, In
s_check_2d_modal_patch_geometry add validation for
patch_icpp(patch_id)%modal_r_min when patch_icpp(patch_id)%modal_clip_r_to_min
is true: check that modal_r_min is set (not f_is_default) and greater than zero
(and optionally less than or equal to patch_icpp(patch_id)%radius) by adding
appropriate @:PROHIBIT checks that reference
patch_icpp(patch_id)%modal_clip_r_to_min and patch_icpp(patch_id)%modal_r_min to
fail fast when clipping is enabled but the minimum radius is unset or
non-positive.

Comment on lines +1093 to +1096
if ((r <= R_boundary .and. patch_icpp(patch_id)%alter_patch(patch_id_fp(i, j, 0))) &
.or. patch_id_fp(i, j, 0) == smooth_patch_id) then
call s_assign_patch_primitive_variables(patch_id, i, j, 0, eta, q_prim_vf, patch_id_fp)
end if
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⚠️ Potential issue | 🟠 Major

Update patch_id_fp after assignments in 2D modal patches.
Without updating the patch ID bookkeeping, later alter_patch and smoothing logic can behave incorrectly.

🛠️ Suggested fix
                 if ((r <= R_boundary .and. patch_icpp(patch_id)%alter_patch(patch_id_fp(i, j, 0))) &
                     .or. patch_id_fp(i, j, 0) == smooth_patch_id) then
                     call s_assign_patch_primitive_variables(patch_id, i, j, 0, eta, q_prim_vf, patch_id_fp)
+                    if (1._wp - eta < sgm_eps) patch_id_fp(i, j, 0) = patch_id
                 end if
🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/pre_process/m_icpp_patches.fpp` around lines 1093 - 1096, After calling
s_assign_patch_primitive_variables for 2D modal patches you must update the
patch bookkeeping so subsequent checks (e.g. patch_icpp(...)%alter_patch(...)
and smoothing using smooth_patch_id) see the new owner; modify the branch that
currently calls s_assign_patch_primitive_variables(patch_id, i, j, 0, ...) to
also set patch_id_fp(i, j, 0) = patch_id immediately after the call so
patch_id_fp reflects the assignment.

Comment on lines +1153 to 1156
if ((r <= R_surface .and. patch_icpp(patch_id)%alter_patch(patch_id_fp(i, j, k))) &
.or. patch_id_fp(i, j, k) == smooth_patch_id) then
call s_assign_patch_primitive_variables(patch_id, i, j, k, eta_local, q_prim_vf, patch_id_fp)
end if
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⚠️ Potential issue | 🟠 Major

Update patch_id_fp after assignments in 3D spherical-harmonic patches.
This bookkeeping is required for correct alter/smoothing behavior in subsequent patches.

🛠️ Suggested fix
                     if ((r <= R_surface .and. patch_icpp(patch_id)%alter_patch(patch_id_fp(i, j, k))) &
                         .or. patch_id_fp(i, j, k) == smooth_patch_id) then
                         call s_assign_patch_primitive_variables(patch_id, i, j, k, eta_local, q_prim_vf, patch_id_fp)
+                        if (1._wp - eta_local < sgm_eps) patch_id_fp(i, j, k) = patch_id
                     end if
🤖 Prompt for AI Agents
Verify each finding against the current code and only fix it if needed.

In `@src/pre_process/m_icpp_patches.fpp` around lines 1153 - 1156, The code
currently calls s_assign_patch_primitive_variables for 3D spherical-harmonic
patches but does not update the bookkeeping array patch_id_fp, which breaks
later alter/smoothing logic; after the call to
s_assign_patch_primitive_variables (inside the same conditional that checks
patch_icpp(patch_id)%alter_patch and smooth_patch_id) set patch_id_fp(i, j, k)
to patch_id so the footprint reflects the new assignment, ensuring subsequent
tests against patch_id_fp, smooth_patch_id, and alter_patch behave correctly.

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Claude Code Review

Head SHA: bf1ed75


Files Changed: 22

Changed file paths (top 15)
  1. docs/documentation/case.md
  2. examples/2D_patch_modal_shape/case.py
  3. examples/2D_patch_modal_shape_exp/case.py
  4. examples/3D_patch_spherical_harmonic/case.py
  5. src/common/m_constants.fpp
  6. src/common/m_derived_types.fpp
  7. src/common/m_helper.fpp
  8. src/pre_process/m_check_patches.fpp
  9. src/pre_process/m_global_parameters.fpp
  10. src/pre_process/m_icpp_patches.fpp
  11. src/pre_process/m_mpi_proxy.fpp
  12. toolchain/mfc/case.py
  13. toolchain/mfc/params/definitions.py
  14. toolchain/mfc/params/descriptions.py
  15. toolchain/mfc/params_tests/test_definitions.py

Summary of Changes

  • New geometry 13 — 2D Fourier modal patch: Adds a 2D patch type where the boundary radius is defined by a Fourier series R(θ) = radius + Σ[fourier_cos(n)·cos(nθ) + fourier_sin(n)·sin(nθ)] (or the exponential form radius·exp(Σ)), with up to 10 modes and optional minimum-radius clipping.
  • Fixed geometry 14 — 3D spherical harmonic patch: Replaces the old undocumented/buggy implementation with correctly normalized real Y_lm using the Condon-Shortley convention, explicit sph_har_coeff(l,m) inputs up to degree l=5, and a guard against division-by-zero near the patch center (small_radius = 1e-32).
  • Refactored math in m_helper.fpp: Removes the broken spherical_harmonic_func and unassociated_legendre functions, adds real_ylm, and fixes associated_legendre to avoid integer-division bugs (e.g., (1-x²)^(l/2) for odd l) and NaN from floating-point noise in sqrt(1-x²).
  • Full MPI coverage: All six new patch fields (fourier_cos, fourier_sin, sph_har_coeff, modal_clip_r_to_min, modal_r_min, modal_use_exp_form) are broadcast to all MPI ranks.
  • New examples and golden tests: Three example cases and three golden test directories are added for regression coverage.
  • Input registration and docs: All new parameters are registered in the Python toolchain, the geometry table in docs/documentation/case.md is updated, and mathematical descriptions of the new forms are added.

Findings

No bugs or CLAUDE.md violations found. The mathematical implementation, array bounds, MPI broadcasts, and input validation are all correct.

Improvement opportunities:

  1. src/pre_process/m_global_parameters.fpp — magic number for modal_r_min: The default value 1.e-12_wp is distinct from the already-defined small_radius = 1.e-32_wp constant. A comment explaining why 1e-12 was chosen as the user-facing default minimum radius (vs. the internal small_radius) would help future maintainers understand the distinction.

  2. toolchain/mfc/params/definitions.py — sparse vs. dense spherical harmonic registration: The PR registers sph_har_coeff for all combinations l=0..5, m=-5..5, but only the physically valid combinations where |m| ≤ l are meaningful. The remaining entries (e.g., sph_har_coeff(0,3)) are silently ignored by the Fortran loop. A comment or validation in m_check_patches.fpp noting that coefficients with |m| > l have no effect would prevent user confusion.

  3. src/common/m_helper.fppfactorial and double_factorial helpers are local to real_ylm: These utility functions are defined as internal procedures within real_ylm. If other functions in the module ever need them, they'll need to be duplicated. Moving them to module scope (still within m_helper.fpp) would be a minor improvement for reusability.


Review performed by Claude Code

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Claude Code Review

PR #1163 — Fix/Add Patches 13 (2D modal) and 14 (3D spherical harmonics)


Files Changed: 22

Key paths:

  • src/common/m_constants.fpp, src/common/m_derived_types.fpp, src/common/m_helper.fpp
  • src/pre_process/m_check_patches.fpp, src/pre_process/m_global_parameters.fpp
  • src/pre_process/m_icpp_patches.fpp, src/pre_process/m_mpi_proxy.fpp
  • toolchain/mfc/params/definitions.py, toolchain/mfc/params/descriptions.py, toolchain/mfc/case.py
  • examples/2D_patch_modal_shape/case.py, examples/2D_patch_modal_shape_exp/case.py, examples/3D_patch_spherical_harmonic/case.py
  • tests/1967AE06/, tests/3F864CFF/, tests/87FBC893/ (golden files)

Summary

  • Geometry 13 is repurposed to a 2D Fourier modal patch; geometry 14 is replaced with a real spherical harmonic implementation using sph_har_coeff(l,m) coefficients. The old integer-division bug in associated_legendre for odd l is correctly fixed.
  • The parameter system is correctly updated across definitions, derived types, global parameters, and MPI proxy; new patch_icpp fields are implicitly available for namelist I/O.
  • Three golden-file test directories are added (tests/1967AE06, tests/3F864CFF, tests/87FBC893) but there are no corresponding entries in toolchain/mfc/test/cases.py, making these tests unreachable via ./mfc.sh test.
  • Two correctness gaps exist: the 3D geometry check loses its dimensionality guard, and both new patch routines omit the patch_id_fp update needed for smooth-patch tracking.
  • No forbidden patterns found (no raw !$acc/!$omp, no dsqrt/dexp/real(8), no d-exponent literals, no stop/goto).

Findings

CRITICAL — Dimension enforcement regression in s_check_3d_spherical_harmonic_patch_geometry

File: src/pre_process/m_check_patches.fpp

The old s_check_spherical_harmonic_patch_geometry had:

@:PROHIBIT(p == 0, "Spherical harmonic patch "//trim(iStr)//": p must be greater than zero")

The new s_check_3d_spherical_harmonic_patch_geometry removes this check entirely. If a user specifies geometry = 14 in a 2D simulation (p = 0), the dispatch in s_apply_icpp_patches silently skips the patch with no error rather than aborting clearly. The check must be restored:

@:PROHIBIT(p == 0, "3D spherical harmonic patch "//trim(iStr)//": p must be greater than zero (must be a 3D simulation)")
@:PROHIBIT(patch_icpp(patch_id)%radius <= 0._wp, "3D spherical harmonic patch "//trim(iStr)//": radius must be greater than zero")

MAJOR — patch_id_fp not updated in either new patch routine

File: src/pre_process/m_icpp_patches.fpp (s_icpp_2d_modal and s_icpp_3d_spherical_harmonic)

Every other patch routine that supports smoothing updates the tracking array after s_assign_patch_primitive_variables:

if (1._wp - eta < sgm_eps) patch_id_fp(i, j, 0) = patch_id

See s_icpp_sphere, s_icpp_ellipsoid, s_icpp_cylinder. Both new routines call s_assign_patch_primitive_variables and then end the if block without this update. The smooth-patch identity bookkeeping used by subsequent patch layers is broken when smoothen = .true. is set for these patch types.


MAJOR — Test golden files have no corresponding cases.py entries

Files: tests/1967AE06/, tests/3F864CFF/, tests/87FBC893/

Per project convention: "Tests are generated programmatically in toolchain/mfc/test/cases.py, not standalone files." A test UUID is the CRC32 hash of its trace string as defined in cases.py. The three new test UUIDs exist only as golden file directories with no push/pop entries in toolchain/mfc/test/cases.py. Running ./mfc.sh test --only 1967AE06 will not find these tests, and the CI pipeline cannot regenerate or validate them. New test case definitions using CaseGeneratorStack must be added to cases.py.


MINOR — Missing f_is_default(radius) check in s_check_2d_modal_patch_geometry

File: src/pre_process/m_check_patches.fpp

The 2D modal check validates radius <= 0 but does not first check f_is_default(patch_icpp(patch_id)%radius). If the user omits radius, it will have dflt_real (a large sentinel value), which passes the <= 0 check (since dflt_real is typically a large negative), triggering a confusing downstream error instead of a clear message. Compare with s_check_sphere_patch_geometry and s_check_spherical_harmonic_patch_geometry, which both check f_is_default(radius) separately.


MINOR — eta_local inconsistency in s_icpp_3d_spherical_harmonic

File: src/pre_process/m_icpp_patches.fpp

The module-level eta variable is the conventional carrier of the pseudo-volume-fraction in all other patch routines (s_icpp_sphere, s_icpp_ellipsoid, s_icpp_cylinder, etc.). s_icpp_3d_spherical_harmonic declares and uses a local eta_local instead, while s_icpp_2d_modal correctly uses the module-level eta. Not a bug in itself, but inconsistent with the established pattern.


MINOR — Documentation range "1 to 21" implies a contiguous valid range

File: docs/documentation/case.md (or equivalent)

Integers 6, 7, and 15 are deprecated/invalid (explicit @:PROHIBIT checks exist for them). The documentation would be more accurate as "an integer identifying a geometry type; see the patch types table for valid values" rather than implying the range is fully contiguous.


OBSERVATION — Correct fix for integer-division bug in associated_legendre

File: src/common/m_helper.fpp

The old P_l^l formula (1 - x**2)**(l/2) used Fortran integer division, yielding wrong results for all odd l. The new formula one_minus_x2**(0.5_wp*real(l, wp)) is correct, and the max(0._wp, 1._wp - x**2) guard preventing NaN at x = ±1 is a good addition.


Required action items before merge

  1. Restore @:PROHIBIT(p == 0, ...) in s_check_3d_spherical_harmonic_patch_geometry (src/pre_process/m_check_patches.fpp).
  2. Add if (1._wp - eta < sgm_eps) patch_id_fp(i, j, 0) = patch_id (2D) and the equivalent (i, j, k) form (3D) after each s_assign_patch_primitive_variables call in the new patch routines (src/pre_process/m_icpp_patches.fpp).
  3. Add programmatic test case definitions to toolchain/mfc/test/cases.py that produce the three new UUIDs, or remove the orphan golden files and regenerate after properly defining the test cases.

Review generated by Claude Code

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