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https://github.com/dylanljones/alftools
https://github.com/dylanljones/alftools
Last synced: 16 days ago
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- Host: GitHub
- URL: https://github.com/dylanljones/alftools
- Owner: dylanljones
- License: mit
- Created: 2022-04-14T11:56:19.000Z (over 2 years ago)
- Default Branch: master
- Last Pushed: 2024-08-05T21:15:28.000Z (3 months ago)
- Last Synced: 2024-10-07T10:07:57.011Z (about 1 month ago)
- Language: Python
- Size: 70.3 KB
- Stars: 0
- Watchers: 1
- Forks: 1
- Open Issues: 2
-
Metadata Files:
- Readme: README.md
- License: LICENSE
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README
# alftools
alftools is an alternative to the [pyalf] package provided by the [ALF] team.
## 🔧 Installation
Install via `pip` from github:
```commandline
pip install git+https://github.com/dylanljones/alftools.git@VERSION
```
or download/clone the package, navigate to the root directory and install via
````commandline
pip install .
````
## 🚀 Quick-Start
### Running simulations
A new sdimulation can be run in a few steps:
```python
from alftools import Simulation
directory = "test"
# Create the simulation directory
sim = Simulation(directory)
sim.init(start_dir="Start")
# Update simulation parameters
params = sim.parameters
params.set_qmc("nbin", 100)
params.set_qmc("nsweep", 50)
params.set_hubbard("ham_u", 1.0)
...
params.save()
# Run simulation
sim.run()
```
An existing simulation can be continued as follows:
```python
sim.out_to_in()
sim.run()
```
[ALF]: (https://git.physik.uni-wuerzburg.de/ALF/pyALF)
[pyalf]: (https://git.physik.uni-wuerzburg.de/ALF/pyALF)