-**Material Modeling**: Define alloys and their properties with ease. Supports various material properties including density, thermal conductivity, and heat capacity.
-**Interpolation**: Interpolate material properties across temperature ranges. Provides functions for interpolation of properties based on temperature.
-**Symbolic Calculations**: Utilize symbolic math with tools like sympy. Includes data structures for managing assignments and symbolic variables.
-**Extensibility**: Add new material properties and interpolators as needed.
## Key Features
| Feature | Description |
|---------|-------------|
| **Material Modeling** | Define complex alloys and their properties using simple YAML configurations |
| **Temperature-dependent Properties** | Model how material properties change with temperature through various interpolation methods |
| **Energy-Temperature Conversion** | Perform efficient bilateral conversion between energy density and temperature |
| **High Performance** | Generate optimized C++ code for computationally intensive simulations |
| **Extensible Design** | Easily add custom material properties and interpolation methods |
## Classes
## Core Components
### Alloy
A dataclass for alloys, with properties like:
-```elements```
-```composition```
-```temperature_solidus```
-```temperature_liquidus```
### Assignment
A dataclass representing an assignment operation with:
- lhs: Left-hand side (symbolic variable).
- rhs: Right-hand side (expression or tuple).
- lhs_type: Type of the left-hand side.
A dataclass representing a material alloy with properties like:
- Elements and composition
- Solidus and liquidus temperatures
- Temperature-dependent material properties
### MaterialProperty
A dataclass representing a material property that can be evaluated as a function of a symbolic variable (e.g., temperature) and includes symbolic assignments.
A dataclass for material properties that can be:
- Defined as constant values
- Specified as key-value pairs for interpolation
- Loaded from external data files
- Computed from other properties
### InterpolationArrayContainer
Manages data for efficient interpolation between energy density and temperature using:
- Binary search interpolation for non-uniform data
- Double lookup interpolation for uniform data
## Contributing
Contributions are welcome! Please follow these steps:
1. Fork the repository.
2. Create a new branch:
```bash
git checkout -b feature/your-feature
```
3. Make your changes and commit:
```bash
git commit -m"Add new feature"
```
4. Push to the branch:
```bash
git push origin feature/your-feature
```
5. Open a pull request.
1. Fork the repository
2. Clone your fork locally: `git clone https://github.com/yourusername/pymatlib.git`
3. Create a new branch: `git checkout -b feature/your-feature`
4. Make your changes and commit: `git commit -m "Add new feature"`
5. Push to the branch: `git push origin feature/your-feature`
6. Open a pull request
## License
This project is licensed under the GNU General Public License v3 (GPLv3). See the [LICENSE](https://i10git.cs.fau.de/rahil.doshi/pymatlib/-/blob/master/LICENSE?ref_type=heads) file for details.
This project is licensed under the GNU General Public License v3 (GPLv3). See the [LICENSE](https://i10git.cs.fau.de/rahil.doshi/pymatlib/-/blob/master/LICENSE?ref_type=heads) file for details.
To make it easy for you to get started with GitLab, here's a list of recommended next steps.
Already a pro? Just edit this README.md and make it your own. Want to make it easy? [Use the template at the bottom](#editing-this-readme)!
## Add your files
-[ ] [Create](https://docs.gitlab.com/ee/user/project/repository/web_editor.html#create-a-file) or [upload](https://docs.gitlab.com/ee/user/project/repository/web_editor.html#upload-a-file) files
-[ ] [Add files using the command line](https://docs.gitlab.com/ee/gitlab-basics/add-file.html#add-a-file-using-the-command-line) or push an existing Git repository with the following command:
-[ ] [Set up project integrations](https://i10git.cs.fau.de/rahil.doshi/pymatlib/-/settings/integrations)
## Collaborate with your team
-[ ] [Invite team members and collaborators](https://docs.gitlab.com/ee/user/project/members/)
-[ ] [Create a new merge request](https://docs.gitlab.com/ee/user/project/merge_requests/creating_merge_requests.html)
-[ ] [Automatically close issues from merge requests](https://docs.gitlab.com/ee/user/project/issues/managing_issues.html#closing-issues-automatically)
Use the built-in continuous integration in GitLab.
-[ ] [Get started with GitLab CI/CD](https://docs.gitlab.com/ee/ci/quick_start/index.html)
-[ ] [Analyze your code for known vulnerabilities with Static Application Security Testing (SAST)](https://docs.gitlab.com/ee/user/application_security/sast/)
-[ ] [Deploy to Kubernetes, Amazon EC2, or Amazon ECS using Auto Deploy](https://docs.gitlab.com/ee/topics/autodevops/requirements.html)
-[ ] [Use pull-based deployments for improved Kubernetes management](https://docs.gitlab.com/ee/user/clusters/agent/)
-[ ] [Set up protected environments](https://docs.gitlab.com/ee/ci/environments/protected_environments.html)
***
# Editing this README
When you're ready to make this README your own, just edit this file and use the handy template below (or feel free to structure it however you want - this is just a starting point!). Thanks to [makeareadme.com](https://www.makeareadme.com/) for this template.
## Suggestions for a good README
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