aiidalab-dlpoly
AiiDAlab application for running and managing DL_POLY molecular dynamics simulations.
Installation
pip install .
Usage
Once installed in an AiiDAlab environment, the app appears on the AiiDAlab
home page. Click Start DL_POLY to open main.ipynb.
License
BSD-3-Clause — see LICENSE.
Author
Dr. Benjamin T. Speake
1 maintainer
Download files
Download the file for your platform. If you're not sure which to choose, learn more about installing packages.
Source Distribution
aiidalab_dlpoly-0.1.0.tar.gz
(29.2 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 aiidalab_dlpoly-0.1.0.tar.gz.
File metadata
- Download URL: aiidalab_dlpoly-0.1.0.tar.gz
- Upload date:
- Size: 29.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? Yes
- Uploaded via:
twine/7.0.0 CPython/3.12.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
054586e695eeec8351180afcf0303cbc00ceb99cad5a5d113199c026730c7458
|
|
| MD5 |
790825735e489fd54560e66d4ec4f211
|
|
| BLAKE2b-256 |
6d21ce667dd3a0973a2446d46661101e756f703095650e17070115182a604c9d
|
File details
Details for the file aiidalab_dlpoly-0.1.0-py3-none-any.whl.
File metadata
- Download URL: aiidalab_dlpoly-0.1.0-py3-none-any.whl
- Upload date:
- Size: 25.3 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? Yes
- Uploaded via:
twine/7.0.0 CPython/3.12.13
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
4b755e2d7c276edbca7678a6f8a40ade3b4d9d102b0f223a0ca1160856a96932
|
|
| MD5 |
1865804ef236efb85edf72d354ec3e52
|
|
| BLAKE2b-256 |
73c4a4ce8808a7f355e1ce37133d1b5ccf8923175b09fb0b5fc691867dbdc4c9
|
