Merge branch 'master' into ripple

CHANGELOG.md

@@ -8,7 +8,7 @@ New Features
 Bug Fixes
 
 - Fixes bug that occurs when taking the gradient of ``root`` and ``root_scalar`` with newer versions of JAX (>=0.4.34) and unpins the JAX version
-
+- Changes ``FixLambdaGauge`` constraint to now enforce zero flux surface average for lambda, instead of enforcing lambda(rho,0,0)=0 as it was incorrectly doing before.
 
 v0.12.3
 -------

desc/objectives/linear_objectives.py

@@ -12,7 +12,7 @@
 from termcolor import colored
 
 from desc.backend import execute_on_cpu, jnp, tree_leaves, tree_map, tree_structure
-from desc.basis import zernike_radial, zernike_radial_coeffs
+from desc.basis import zernike_radial
 from desc.geometry import FourierRZCurve
 from desc.utils import broadcast_tree, errorif, setdefault
 
@@ -774,8 +774,8 @@ def build(self, use_jit=False, verbose=1):
         super().build(use_jit=use_jit, verbose=verbose)
 
 
-class FixLambdaGauge(_Objective):
-    """Fixes gauge freedom for lambda: lambda(theta=0,zeta=0)=0.
+class FixLambdaGauge(FixParameters):
+    """Fixes gauge freedom for lambda, which sets the flux surface avg of lambda to 0.
 
     Note: this constraint is automatically applied when needed, and does not need to be
     included by the user.
@@ -793,9 +793,6 @@ class FixLambdaGauge(_Objective):
 
     """
 
-    _scalar = False
-    _linear = True
-    _fixed = False  # not "diagonal", since it is fixing a sum
     _units = "(rad)"
     _print_value_fmt = "lambda gauge error: "
 
@@ -806,75 +803,21 @@ def __init__(
         normalize_target=True,
         name="lambda gauge",
     ):
+        if eq.sym:
+            indices = False
+        else:
+            indices = np.where(
+                np.logical_and(eq.L_basis.modes[:, 1] == 0, eq.L_basis.modes[:, 2] == 0)
+            )[0]
         super().__init__(
-            things=eq,
+            thing=eq,
+            params={"L_lmn": indices},
             target=0,
-            bounds=None,
-            weight=1,
             normalize=normalize,
             normalize_target=normalize_target,
             name=name,
         )
 
-    def build(self, use_jit=False, verbose=1):
-        """Build constant arrays.
-
-        Parameters
-        ----------
-        use_jit : bool, optional
-            Whether to just-in-time compile the objective and derivatives.
-        verbose : int, optional
-            Level of output.
-
-        """
-        eq = self.things[0]
-        L_basis = eq.L_basis
-
-        if L_basis.sym:
-            self._A = np.zeros((0, L_basis.num_modes))
-        else:
-            # l(rho,0,0) = 0
-            # at theta=zeta=0, basis for lambda reduces to just a polynomial in rho
-            # what this constraint does is make all the coefficients of each power
-            # of rho equal to zero
-            # i.e. if lambda = (L_200 + 2*L_310) rho**2 + (L_100 + 2*L_210)*rho
-            # this constraint will make
-            # L_200 + 2*L_310 = 0
-            # L_100 + 2*L_210 = 0
-            L_modes = L_basis.modes
-            mnpos = np.where((L_modes[:, 1:] >= [0, 0]).all(axis=1))[0]
-            l_lmn = L_modes[mnpos, :]
-            if len(l_lmn) > 0:
-                c = zernike_radial_coeffs(l_lmn[:, 0], l_lmn[:, 1])
-            else:
-                c = np.zeros((0, 0))
-
-            A = np.zeros((c.shape[1], L_basis.num_modes))
-            A[:, mnpos] = c.T
-            self._A = A
-
-        self._dim_f = self._A.shape[0]
-        super().build(use_jit=use_jit, verbose=verbose)
-
-    def compute(self, params, constants=None):
-        """Compute lambda gauge freedom errors.
-
-        Parameters
-        ----------
-        params : dict
-            Dictionary of equilibrium degrees of freedom, eg Equilibrium.params_dict
-        constants : dict
-            Dictionary of constant data, eg transforms, profiles etc. Defaults to
-            self.constants
-
-        Returns
-        -------
-        f : ndarray
-            gauge freedom errors.
-
-        """
-        return jnp.dot(self._A, params["L_lmn"])
-
 
 class FixThetaSFL(FixParameters):
     """Fixes lambda=0 so that poloidal angle is the SFL poloidal angle.

devtools/dev-requirements_conda.yml

@@ -9,7 +9,7 @@ dependencies:
   - netcdf4 >= 1.5.4, < 2.0
   - numpy >= 1.20.0
   - psutil
-  - scipy >= 1.7.0, < 2.0
+  - scipy >= 1.7.0
   - termcolor
   - pip
   - pip:

requirements_conda.yml

@@ -9,7 +9,7 @@ dependencies:
   - netcdf4 >= 1.5.4, < 2.0
   - numpy >= 1.20.0
   - psutil
-  - scipy >= 1.7.0, < 2.0
+  - scipy >= 1.7.0
   - termcolor
   - pip
   - pip:

tests/test_linear_objectives.py

@@ -2,14 +2,12 @@
 
 import numpy as np
 import pytest
-import scipy.linalg
 from qsc import Qsc
 
 import desc.examples
 from desc.backend import jnp
 from desc.equilibrium import Equilibrium
 from desc.geometry import FourierRZToroidalSurface
-from desc.grid import LinearGrid
 from desc.io import load
 from desc.magnetic_fields import OmnigenousField
 from desc.objectives import (
@@ -69,10 +67,10 @@ def test_LambdaGauge_sym(DummyStellarator):
     eq = load(load_from=str(DummyStellarator["output_path"]), file_format="hdf5")
     with pytest.warns(UserWarning, match="Reducing radial"):
         eq.change_resolution(L=2, M=1, N=1)
-    correct_constraint_matrix = np.zeros((0, 5))
     lam_con = FixLambdaGauge(eq)
     lam_con.build()
-    np.testing.assert_array_equal(lam_con._A, correct_constraint_matrix)
+    # should have no indices to fix
+    assert lam_con._params["L_lmn"].size == 0
 
 
 @pytest.mark.unit
@@ -105,13 +103,10 @@ def test_LambdaGauge_asym():
     lam_con = FixLambdaGauge(eq)
     lam_con.build()
 
-    # make sure that any lambda in the null space gives lambda==0 at theta=zeta=0
-    Z = scipy.linalg.null_space(lam_con._A)
-    grid = LinearGrid(L=10, theta=[0], zeta=[0])
-    for z in Z.T:
-        eq.L_lmn = z
-        lam = eq.compute("lambda", grid=grid)["lambda"]
-        np.testing.assert_allclose(lam, 0, atol=1e-15)
+    indices = np.where(
+        np.logical_and(eq.L_basis.modes[:, 1] == 0, eq.L_basis.modes[:, 2] == 0)
+    )[0]
+    np.testing.assert_allclose(indices, lam_con._params["L_lmn"])
 
 
 @pytest.mark.regression

tests/test_vmec.py

@@ -1022,7 +1022,7 @@ def test_vmec_save_asym(VMEC_save_asym):
         vmec.variables["jcurv"][20:100], desc.variables["jcurv"][20:100], rtol=2
     )
     np.testing.assert_allclose(
-        vmec.variables["DShear"][20:100], desc.variables["DShear"][20:100], rtol=3e-2
+        vmec.variables["DShear"][20:100], desc.variables["DShear"][20:100], rtol=6e-2
     )
     np.testing.assert_allclose(
         vmec.variables["DCurr"][20:100],
@@ -1074,13 +1074,22 @@ def test_vmec_save_asym(VMEC_save_asym):
     # Next, calculate some quantities and compare
     # the DESC wout -> DESC (should be very close)
     # and the DESC wout -> VMEC wout (should be approximately close)
+    surfs = desc.variables["ns"][:]
+    s_full = np.linspace(0, 1, surfs)
+    s_half = s_full[0:-1] + 0.5 / (surfs - 1)
+    r_full = np.sqrt(s_full)
+    r_half = np.sqrt(s_half)
+
     vol_grid = LinearGrid(
-        rho=np.sqrt(
-            abs(
-                vmec.variables["phi"][:].filled()
-                / np.max(np.abs(vmec.variables["phi"][:].filled()))
-            )
-        )[10::10],
+        rho=r_full[10::10],
+        M=15,
+        N=15,
+        NFP=eq.NFP,
+        axis=False,
+        sym=False,
+    )
+    vol_half_grid = LinearGrid(
+        rho=r_half[10::10],
         M=15,
         N=15,
         NFP=eq.NFP,
@@ -1100,12 +1109,13 @@ def test(
         atol_vmec_desc_wout=1e-5,
         rtol_vmec_desc_wout=1e-2,
         grid=vol_grid,
+        is_half_grid=False,
     ):
         """Helper fxn to evaluate Fourier series from wout and compare to DESC."""
         xm = desc.variables["xm_nyq"][:] if use_nyq else desc.variables["xm"][:]
         xn = desc.variables["xn_nyq"][:] if use_nyq else desc.variables["xn"][:]
 
-        si = abs(vmec.variables["phi"][:] / np.max(np.abs(vmec.variables["phi"][:])))
+        si = np.insert(s_half, 0, 0) if is_half_grid else s_full
         rho = grid.nodes[:, 0]
         s = rho**2
         # some quantities must be negated before comparison bc
@@ -1166,66 +1176,64 @@ def test(
             rtol=rtol_vmec_desc_wout,
         )
 
-    # R & Z & lambda
+    # R & Z
     test("rmn", "R", use_nyq=False)
-    test("zmn", "Z", use_nyq=False, atol_vmec_desc_wout=4e-2)
-
+    test("zmn", "Z", use_nyq=False, atol_vmec_desc_wout=1e-2)
+    test(
+        "lmn",
+        "lambda",
+        use_nyq=False,
+        atol_vmec_desc_wout=1e-2,
+        negate_DESC_quant=True,
+        grid=vol_half_grid,
+        is_half_grid=True,
+    )
     # |B|
     test("bmn", "|B|", rtol_desc_desc_wout=7e-4)
 
     # B^zeta
-    test("bsupvmn", "B^zeta")  # ,rtol_desc_desc_wout=6e-5)
+    test("bsupvmn", "B^zeta")
 
     # B_zeta
-    test("bsubvmn", "B_zeta", rtol_desc_desc_wout=3e-4)
+    test("bsubvmn", "B_zeta", grid=vol_half_grid, is_half_grid=True)
 
     # hard to compare to VMEC for the currents, since
     # VMEC F error is worse and equilibria are not exactly similar
     # just compare back to DESC
     test("currumn", "J^theta", atol_vmec_desc_wout=1e4)
     test("currvmn", "J^zeta", negate_DESC_quant=True, atol_vmec_desc_wout=1e5)
 
-    # can only compare lambda, sqrt(g) B_psi B^theta and B_theta at bdry
-    test(
-        "lmn",
-        "lambda",
-        use_nyq=False,
-        negate_DESC_quant=True,
-        grid=bdry_grid,
-        atol_desc_desc_wout=4e-4,
-        atol_vmec_desc_wout=5e-2,
-    )
     test(
         "gmn",
         "sqrt(g)",
         convert_sqrt_g_or_B_rho=True,
         negate_DESC_quant=True,
-        grid=bdry_grid,
-        rtol_desc_desc_wout=5e-4,
-        rtol_vmec_desc_wout=4e-2,
+        grid=vol_half_grid,
+        is_half_grid=True,
     )
+
+    # Compare B_psi B^theta and B_theta at bdry only
     test(
         "bsupumn",
         "B^theta",
         negate_DESC_quant=True,
         grid=bdry_grid,
+        is_half_grid=True,
         atol_vmec_desc_wout=6e-4,
     )
     test(
         "bsubumn",
         "B_theta",
         negate_DESC_quant=True,
         grid=bdry_grid,
-        atol_desc_desc_wout=1e-4,
-        atol_vmec_desc_wout=4e-4,
+        is_half_grid=True,
     )
     test(
         "bsubsmn",
         "B_rho",
-        grid=bdry_grid,
         convert_sqrt_g_or_B_rho=True,
-        rtol_vmec_desc_wout=6e-2,
-        atol_vmec_desc_wout=9e-3,
+        grid=bdry_grid,
+        atol_vmec_desc_wout=2e-3,
     )