Simulación DFT 1D con GUI
Project description
DFTOY
This repository implements a simplified 1D Density Functional Theory (DFT) solver for teaching, concept verification, and numerical tests. It performs a Kohn–Sham self-consistent cycle: builds the effective potential, assembles the Hamiltonian, solves for the ground state, updates the density, and iterates until convergence.
#Instructions
If you want to run this program in the console you have to write this:
python3 -m dftoy.gui
If you wanna run pytest you have to write this:
pytest tests/
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
Built Distribution
Filter files by name, interpreter, ABI, and platform.
If you're not sure about the file name format, learn more about wheel file names.
Copy a direct link to the current filters
File details
Details for the file dftoy-1.1.tar.gz.
File metadata
- Download URL: dftoy-1.1.tar.gz
- Upload date:
- Size: 714.1 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.11.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
5e54348dcf61b0ef67ff362b97196f32eb31aa4b7c609434d36ff41a1d57995b
|
|
| MD5 |
c23e956bd59bc2c1152ede2c612b2cff
|
|
| BLAKE2b-256 |
94692dc1a4a036bc6ce602e014ba966186422d979b1664571e16d9ffc3260dbd
|
File details
Details for the file dftoy-1.1-py3-none-any.whl.
File metadata
- Download URL: dftoy-1.1-py3-none-any.whl
- Upload date:
- Size: 710.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/6.2.0 CPython/3.11.2
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
b0d1afcbf914f1572241a3fab521f20eb0082b5725d76d2dc901d597d96eb10f
|
|
| MD5 |
971a7a9d468521a3cb7465963d80c633
|
|
| BLAKE2b-256 |
b80f2edbe8dbc933fecb2a19a4d5bd6a880f24c858a8a45125dbb830429cc41a
|
