A library for reading/writting Hamiltonian with localized basis set.
Project description
HamiltonIO
A library of IO of Hamiltonian files of DFT codes
Installation
pip install hamiltonIO
Usage
Command Line Tools
HamiltonIO includes command-line tools for converting data files:
EPW File Converter:
# Convert EPW binary files to NetCDF format
hamiltonio-epw epw_to_nc --path /path/to/epw/files --prefix material --output epmat.nc
# Check files without converting
hamiltonio-epw epw_to_nc --dry-run --path ./data --prefix test
Python Library
See the examples in the documentation for detailed Python API usage.
Release history Release notifications | RSS feed
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
hamiltonio-0.2.8.tar.gz
(78.9 kB
view details)
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 hamiltonio-0.2.8.tar.gz.
File metadata
- Download URL: hamiltonio-0.2.8.tar.gz
- Upload date:
- Size: 78.9 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.1 CPython/3.10.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
f6f8ff65c61517b1f6496fbdd38b0905186f3615cdfd58622e6610f06bcf752a
|
|
| MD5 |
ed79311cee198404fdcb4bd3a3613284
|
|
| BLAKE2b-256 |
c25fc792510036ba2022b72f6ad343aeee225f40cd843c9d129ee976ae45e082
|
File details
Details for the file hamiltonio-0.2.8-py3-none-any.whl.
File metadata
- Download URL: hamiltonio-0.2.8-py3-none-any.whl
- Upload date:
- Size: 93.7 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/5.1.1 CPython/3.10.12
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
4f83cc2c36925d043d0461e57c226058eb3771789dd867446664a5cb3fbeb79b
|
|
| MD5 |
2ef45325739ea5df57fabf33c7279ae4
|
|
| BLAKE2b-256 |
7b652164a0e2310ef3b944c45b84bc487bd935b039dc7f6c566b0506df20dd95
|
