Merge branch 'geoelements:main' into VTK_Writer

CITATION.cff

@@ -0,0 +1,13 @@
+cff-version: 1.2.0
+message: "If you use this software, please cite it as below."
+authors:
+  - family-names: Mehta
+    given-names: Chahak
+  - family-names: Kumar
+    given-names: Krishna
+    orcid: https://orcid.org/0000-0003-2144-5562
+title: "Differentiable Material Point Method Simulator (DiffMPM): v0.1"
+version: v0.1
+doi: 
+date-released: 2023-07-24
+url: "https://github.com/geoelements/diffmpm"

README.md

@@ -1 +1,34 @@
-# DiffMPM
+# Differentiable Material Point Method (DiffMPM)
+
+MPM simulations are applied in various fields such as computer graphics, geotechnical engineering, computational mechanics and more. `diffmpm` is a differentiable MPM simulation library written entirely in JAX which means it also has all the niceties that come with JAX. It is a highly parallel, Just-In-Time compiled code that can run on CPUs, GPUs or TPUs. It aims to be a fast solver that can be used in various problems like optimization and inverse problems. Having a differentiable MPM simulation opens up several advantages - 
+- **Efficient Gradient-based Optimization:** Since the entire simulation model is differentiable, it can be used in conjunction with various gradient-based optimization techniques such as stochastic gradient descent (SGD), ADAM etc.
+- **Inverse Problems:** It also enables us to solve inverse problems to determine material properties by formulating an inverse problem as an optimization task.
+- **Integration with Deep Learning:** It can be seamlessly integrated with other Neural Network models to enable training physics-informed neural networks.
+
+## Installation
+`diffmpm` can be installed directly from PyPI using `pip`
+
+``` shell
+pip install diffmpm
+```
+
+#### ToDo
+Add separate installation commands for CPU/GPU.
+
+## Usage
+Once installed, `diffmpm` can be used as a CLI tool or can be imported as a library in Python. Example input files can be found in the `benchmarks/` directory.
+
+```
+Usage: mpm [OPTIONS]
+
+  CLI utility for DiffMPM.
+
+Options:
+  -f, --file TEXT  Input TOML file  [required]
+  --version        Show the version and exit.
+  --help           Show this message and exit.
+```
+
+Further documentation about the input file can be found in the documentation _[INSERT LINK HERE]_. `diffmpm` can write the output to various file types like `.npz`, `.vtk` etc. that can then be used to visualize the output of the simulations.
+
+## Examples

benchmarks/2d/uniaxial_nodal_forces/test_benchmark.py

@@ -3,7 +3,9 @@
 import sys
 sys.path.append(os.getcwd())
 from pathlib import Path
+
 import jax.numpy as jnp
+
 from diffmpm import MPM
 
 

benchmarks/2d/uniaxial_particle_traction/test_benchmark.py

@@ -2,7 +2,9 @@
 import sys
 sys.path.append(os.getcwd())
 from pathlib import Path
+
 import jax.numpy as jnp
+
 from diffmpm import MPM
 
 

benchmarks/2d/uniaxial_stress/test_benchmark.py

@@ -2,7 +2,9 @@
 import sys
 sys.path.append(os.getcwd())
 from pathlib import Path
+
 import jax.numpy as jnp
+
 from diffmpm import MPM
 
 

diffmpm/__init__.py

@@ -40,7 +40,7 @@ def __init__(self, filepath):
             raise ValueError("Wrong type of solver specified.")
 
     def solve(self):
-        """Solve the MPM simulation."""
+        """Solve the MPM simulation using JIT solver."""
         arrays = self.solver.solve_jit(
             self._config.parsed_config["external_loading"]["gravity"],
         )

diffmpm/cli/mpm.py

@@ -3,11 +3,12 @@
 from diffmpm import MPM
 
 
-@click.command()
+@click.command()  # type: ignore
 @click.option(
     "-f", "--file", "filepath", required=True, type=str, help="Input TOML file"
 )
 @click.version_option(package_name="diffmpm")
 def mpm(filepath):
+    """CLI utility for DiffMPM."""
     solver = MPM(filepath)
     solver.solve()

diffmpm/constraint.py

@@ -3,7 +3,18 @@
 
 @register_pytree_node_class
 class Constraint:
-    def __init__(self, dir, velocity):
+    """Generic velocity constraints to apply on nodes or particles."""
+
+    def __init__(self, dir: int, velocity: float):
+        """Contains 2 govering parameters.
+
+        Attributes
+        ----------
+        dir : int
+            Direction in which constraint is applied.
+        velocity : float
+            Constrained velocity to be applied.
+        """
         self.dir = dir
         self.velocity = velocity
 
@@ -16,16 +27,15 @@ def tree_unflatten(cls, aux_data, children):
         return cls(*aux_data)
 
     def apply(self, obj, ids):
-        """
-        Apply constraint values to the passed object.
+        """Apply constraint values to the passed object.
 
-        Arguments
-        ---------
+        Parameters
+        ----------
         obj : diffmpm.node.Nodes, diffmpm.particle.Particles
             Object on which the constraint is applied
         ids : array_like
             The indices of the container `obj` on which the constraint
-        will be applied.
+            will be applied.
         """
         obj.velocity = obj.velocity.at[ids, :, self.dir].set(self.velocity)
         obj.momentum = obj.momentum.at[ids, :, self.dir].set(