prehner · Oct 15, 2026 · Oct 15, 2026
diff --git a/README.md b/README.md
@@ -153,7 +153,7 @@ maturin build --profile="release-lto"
 ```
 
 which will use the `wheel` feature collection specified in the `pyproject.toml` file. 
-The `emscripten_wheel` collection provides the same models and AD support for Pyodide while omitting incompatible features (such as Rayon, SQLite, and the Rayon-dependent 3D DFT classes).
+The `emscripten_wheel` collection provides the same models and AD support for Pyodide while omitting incompatible features (such as Rayon and SQLite).
 Use the following command to build a wheel with specific features:
 
 ```

diff --git a/docs/api/dft.md b/docs/api/dft.md
@@ -8,15 +8,6 @@ Implementations of Helmholtz energy functionals for DFT.
 ```{eval-rst}
 .. currentmodule:: feos
 
-.. autosummary::
-    :toctree: generated/
-
-    HelmholtzEnergyFunctional
-```
-
-```{eval-rst}
-.. currentmodule:: feos
-
 .. autosummary::
     HelmholtzEnergyFunctional.pcsaft
     HelmholtzEnergyFunctional.gc_pcsaft
@@ -43,11 +34,11 @@ Implementations of Helmholtz energy functionals for DFT.
 
     ExternalPotential
     Geometry
+    Grid
     Pore1D
-    Pore2D
-    Pore3D
-    Adsorption1D
-    Adsorption3D
+    PoreProfile
+    PoreSpecification
+    Adsorption
 ```
 
 ## Solvation
@@ -68,4 +59,5 @@ Implementations of Helmholtz energy functionals for DFT.
 
     FMTVersion
     DFTSolver
+    DFTSolverLog
 ```
diff --git a/docs/api/eos.md b/docs/api/eos.md
@@ -90,4 +90,5 @@ eos = feos.EquationOfState.pcsaft(pc_saft_parameters).joback(joback_parameters)
     StateVec
     PhaseEquilibrium
     PhaseDiagram
+    PhaseDiagramHetero
 ```
diff --git a/docs/conf.py b/docs/conf.py
@@ -1,6 +1,7 @@
 import os
 import sys
 import feos
+import sphinx.ext.autosummary
 
 sys.path.append(os.path.abspath(os.path.join(__file__, "../..")))
 sys.path.insert(0, os.path.abspath('.'))
@@ -38,6 +39,25 @@
 autodoc_typehints = "both"
 autosummary_generate = True
 templates_path = ['_templates']
+
+
+def hide_missing_constructor(app, what, name, obj, options, signature, return_annotation):
+    # classes without a constructor (no `#[new]`) would otherwise be shown as `Class()`
+    if what == "class" and getattr(obj, "__text_signature__", None) is None:
+        return "", None
+
+
+# autosummary turns empty signatures into `()`, keep them empty instead
+_mangle_signature = sphinx.ext.autosummary.mangle_signature
+sphinx.ext.autosummary.mangle_signature = lambda sig, max_chars=30: (
+    _mangle_signature(sig, max_chars) if sig else ""
+)
+
+
+def setup(app):
+    app.connect("autodoc-process-signature", hide_missing_constructor)
+
+
 exclude_patterns = ['_build', 'Thumbs.db', '.DS_Store', '**.ipynb_checkpoints']
 
 # -- Options for HTML output -------------------------------------------------

diff --git a/docs/index.md b/docs/index.md
@@ -48,7 +48,7 @@ let parameters = Parameters::from_json(
 let eos = &PcSaft::new(parameters);
 
 // Define thermodynamic conditions
-let critical_point = State::critical_point(&eos, None, None, None, Default::default())?;
+let critical_point = State::critical_point(&eos, (), None, None, Default::default())?;
 
 // Compute properties
 let p = critical_point.pressure(Contributions::Total);

diff --git a/docs/installation.md b/docs/installation.md
@@ -16,28 +16,27 @@ pip install git+https://github.com/feos-org/feos
 ````
 
 ````{tab-item} Rust
-In Rust, the `feos-dft` crate and each equation of state or DFT functional is a separate, optional module behind a feature flag.
-To use {math}`\text{FeO}_\text{s}` with all models (including Python bindings), use the `all_models` feature:
+In Rust, DFT and each equation of state or Helmholtz energy functional is a separate, optional module behind a feature flag.
+To use {math}`\text{FeO}_\text{s}` with all models, use the `all_models` feature:
 
-```toml
-[dependencies]
-feos-core = "0.4"
-feos = { version="0.4", features = ["all_models"] }
-quantity = "0.6"
+```
+cargo add feos --features all_models
+```
+
+In the following example we use only the PC-SAFT equation of state and Helmholtz energy functionals:
+
+```
+cargo add feos --features "dft pcsaft"
 ```
 
-To access the generic implementations for properties and phase equilibria, the `feos-core` crate is also included as dependency. Finally, {math}`\text{FeO}_\text{s}` makes extensive use of SI units provided by the `quantity` crate.
+The generic implementations for properties and phase equilibria (`feos-core`) and for DFT (`feos-dft`) are re-exported as `feos::core` and `feos::dft`, so no additional dependencies are required.
 
-In the following example we use only the PC-SAFT equation of state and Helmholtz energy functionals (without Python bindings):
+{math}`\text{FeO}_\text{s}` makes extensive use of SI units provided by the `quantity` crate, which has to be added separately:
 
-```toml
-[dependencies]
-feos-core = "0.4"
-feos-dft = "0.4"
-feos = { version="0.4", features = ["dft", "pcsaft"] }
-quantity = "0.6"
+```
+cargo add quantity
 ```
 
-To access generic DFT functionalities like interfaces and adsorption isotherms, the `feos-dft` crate is added to the dependencies.
+Make sure that the version of `quantity` matches the one used by `feos`. Otherwise, the units are not compatible.
 ````
 `````
diff --git a/docs/recipes/recipes_contact_angle.ipynb b/docs/recipes/recipes_contact_angle.ipynb
@@ -25,7 +25,7 @@
     "\n",
     "# set up surface\n",
     "ext_pot = feos.ExternalPotential.LJ93(sigma_ss=3.0, epsilon_k_ss=120.0, rho_s=0.08)\n",
-    "pore = feos.Pore1D(feos.Geometry.Cartesian, 50*si.ANGSTROM, ext_pot)"
+    "pore = feos.Pore1D(functional, feos.Geometry.Cartesian, 50*si.ANGSTROM, ext_pot)"
    ]
   },
   {
@@ -37,10 +37,10 @@
     {
      "data": {
       "text/latex": [
-       "$31.99°$"
+       "$31.997°$"
       ],
       "text/plain": [
-       "31.990466526671963°"
+       "31.99653644908266°"
       ]
      },
      "execution_count": 2,
@@ -59,7 +59,7 @@
     "gamma_sv = vapor_profile.interfacial_tension / si.ANGSTROM**2\n",
     "\n",
     "# calculate the vapor/liquid interfacial tension\n",
-    "vle_profile = feos.PlanarInterface.from_pdgt(vle, 2048).solve()\n",
+    "vle_profile = feos.Interface.planar_from_pdgt(vle, 2048).solve()\n",
     "gamma_vl = vle_profile.surface_tension\n",
     "\n",
     "# calculate the contact angle from Young's equation\n",
@@ -69,7 +69,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "feos",
+   "display_name": "feos_devel",
    "language": "python",
    "name": "python3"
   },
@@ -83,7 +83,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.14.0"
+   "version": "3.14.7"
   }
  },
  "nbformat": 4,

diff --git a/docs/recipes/recipes_surface_tension_pure.ipynb b/docs/recipes/recipes_surface_tension_pure.ipynb
@@ -63,10 +63,10 @@
     {
      "data": {
       "text/latex": [
-       "$20.191\\,\\mathrm{\\frac{mN}{m}}$"
+       "$20.198\\,\\mathrm{\\frac{mN}{m}}$"
       ],
       "text/plain": [
-       "20.190692939005643 mN/m"
+       "20.19808975615558 mN/m"
       ]
      },
      "execution_count": 3,
@@ -75,8 +75,8 @@
     }
    ],
    "source": [
-    "surface_tension_pdgt = (feos.PlanarInterface\n",
-    "    .from_pdgt(vle, 1024)\n",
+    "surface_tension_pdgt = (feos.Interface\n",
+    "    .planar_from_pdgt(vle, 1024)\n",
     "    .solve()\n",
     "    .surface_tension)\n",
     "surface_tension_pdgt"
@@ -91,10 +91,10 @@
     {
      "data": {
       "text/latex": [
-       "$20.191\\,\\mathrm{\\frac{mN}{m}}$"
+       "$20.194\\,\\mathrm{\\frac{mN}{m}}$"
       ],
       "text/plain": [
-       "20.190693016626028 mN/m"
+       "20.194223394324272 mN/m"
       ]
      },
      "execution_count": 4,
@@ -103,8 +103,8 @@
     }
    ],
    "source": [
-    "surface_tension_tanh = (feos.PlanarInterface\n",
-    "    .from_tanh(vle, 1024, 100 * si.ANGSTROM, 500 * si.KELVIN)\n",
+    "surface_tension_tanh = (feos.Interface\n",
+    "    .planar_from_tanh(vle, 1024, 100 * si.ANGSTROM, 500 * si.KELVIN)\n",
     "    .solve()\n",
     "    .surface_tension\n",
     ")\n",
@@ -114,7 +114,7 @@
  ],
  "metadata": {
   "kernelspec": {
-   "display_name": "feos",
+   "display_name": "feos_devel",
    "language": "python",
    "name": "python3"
   },
@@ -128,7 +128,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.13.5"
+   "version": "3.14.7"
   }
  },
  "nbformat": 4,

diff --git a/docs/tutorials/dft/pcsaft_surface_tension.ipynb b/docs/tutorials/dft/pcsaft_surface_tension.ipynb
diff --git a/docs/tutorials/index.md b/docs/tutorials/index.md
@@ -1,6 +1,6 @@
 # Tutorials
 
-You can find each of the tutorials below as jupyter notebook in the github repository in the [`examples` folder](https://github.com/feos-org/feos/tree/main/examples).
+You can find each of the tutorials below as jupyter notebook in the github repository in the [`docs/tutorials` folder](https://github.com/feos-org/feos/tree/main/docs/tutorials).
 
 ```{eval-rst}
 .. toctree::

diff --git a/docs/tutorials/utility/core_dual_numbers.ipynb b/docs/tutorials/utility/core_dual_numbers.ipynb
@@ -114,7 +114,7 @@
     "                for j in range(self.n):\n",
     "                    ak_mix += np.sqrt(ak[i] * ak[j]) * (x[i] * x[j] * (1.0 - self.delta_ij[i, j]))\n",
     "        else:\n",
-    "            ak_mix = ak\n",
+    "            ak_mix = ak[0]\n",
     "        b = np.sum(x * self.b)\n",
     "        v = 1.0 / state.density\n",
     "        a = state.density * (np.log(v / (v - b)) - ak_mix / (b * SQRT2 * 2.0 * state.temperature)\n",
@@ -240,15 +240,7 @@
       "temperature:  300.0\n",
       "molefracs  :  [1.0]\n",
       "density    :  2.4543491066169247e-05\n",
-      "A/kT       :  [0.00012419]\n"
-     ]
-    },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/tmp/ipykernel_2182195/809879024.py:1: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n",
-      "  state.helmholtz_energy() / (si.KB * 300*si.KELVIN)\n"
+      "A/kT       :  0.00012419216233064458\n"
      ]
     },
     {
@@ -299,14 +291,6 @@
       "A/kT       :  0.00012419216233064458 + -0.005045192367012291ε\n"
      ]
     },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/tmp/ipykernel_2182195/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n",
-      "  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n"
-     ]
-    },
     {
      "data": {
       "text/latex": [
@@ -350,14 +334,6 @@
       "A/kT       :  0.00012419216233064458 + -0.0000006261809548282462ε\n"
      ]
     },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/tmp/ipykernel_2182195/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n",
-      "  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n"
-     ]
-    },
     {
      "data": {
       "text/latex": [
@@ -423,14 +399,6 @@
       "A/kT       :  0.00012419216233064458 + -0.0000006261809548282462ε1 + 0.000000004710234326181233ε1²\n"
      ]
     },
-    {
-     "name": "stderr",
-     "output_type": "stream",
-     "text": [
-      "/tmp/ipykernel_2182195/966462947.py:64: DeprecationWarning: Conversion of an array with ndim > 0 to a scalar is deprecated, and will error in future. Ensure you extract a single element from your array before performing this operation. (Deprecated NumPy 1.25.)\n",
-      "  ak = ((1.0 - np.sqrt(tr)) * self.kappa + 1.0)**2 * self.a_r\n"
-     ]
-    },
     {
      "data": {
       "text/latex": [
@@ -477,7 +445,7 @@
    "name": "python",
    "nbconvert_exporter": "python",
    "pygments_lexer": "ipython3",
-   "version": "3.14.0"
+   "version": "3.14.7"
   }
  },
  "nbformat": 4,

diff --git a/examples/README.md b/examples/README.md
@@ -0,0 +1,13 @@
+# Examples
+
+This folder contains a collection of example notebooks that are **not actively maintained**.
+The first code cell of each notebook states the `feos` version that it was last run with, e.g.,
+
+```python
+# feos version: 0.9.6
+```
+
+If a notebook does not work with the latest version of `feos`, you can install the version stated in the notebook, e.g., `pip install feos==0.9.6`.
+
+The tutorials and recipes in the [documentation](https://feos-org.github.io/feos/) are kept up to date with the latest release.
+Their notebooks are located in the [`docs/tutorials`](../docs/tutorials) and [`docs/recipes`](../docs/recipes) folders.
diff --git a/examples/core_dual_numbers.ipynb b/examples/core_dual_numbers.ipynb
@@ -44,6 +44,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "# feos version: 0.9.6\n",
     "import feos\n",
     "import si_units as si\n",
     "import numpy as np\n",
@@ -114,7 +115,7 @@
     "                for j in range(self.n):\n",
     "                    ak_mix += np.sqrt(ak[i] * ak[j]) * (x[i] * x[j] * (1.0 - self.delta_ij[i, j]))\n",
     "        else:\n",
-    "            ak_mix = ak\n",
+    "            ak_mix = ak[0]\n",
     "        b = np.sum(x * self.b)\n",
     "        v = 1.0 / state.density\n",
     "        a = state.density * (np.log(v / (v - b)) - ak_mix / (b * SQRT2 * 2.0 * state.temperature)\n",

diff --git a/examples/core_user_defined_eos.ipynb b/examples/core_user_defined_eos.ipynb
@@ -30,6 +30,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "# feos version: 0.9.6\n",
     "import feos\n",
     "import si_units as si\n",
     "import numpy as np\n",

diff --git a/examples/core_working_with_units.ipynb b/examples/core_working_with_units.ipynb
@@ -23,6 +23,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "# feos version: 0.11.0\n",
     "import si_units as si\n",
     "import numpy as np"
    ]

diff --git a/examples/gc_pcsaft_functional.ipynb b/examples/gc_pcsaft_functional.ipynb
@@ -14,6 +14,7 @@
    "metadata": {},
    "outputs": [],
    "source": [
+    "# feos version: 0.10.1\n",
     "import feos\n",
     "import si_units as si\n",
     "import matplotlib.pyplot as plt"