No project description provided
Project description
Physical validation reference
physical_validation is a package aimed at testing results obtained
by molecular dynamics simulations for their physical validity.
Please cite
Merz PT, Shirts MR (2018) Testing for physical validity in molecular simulations. PLoS ONE 13(9): e0202764. https://doi.org/10.1371/journal.pone.0202764
Please check https://physical-validation.readthedocs.io for the full reference.
physical_validation incorporates the functionality of
checkensemble.
This software is developed in the Shirts group at University of Colorado in Boulder.
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
Built Distribution
File details
Details for the file physical_validation-1.0.2.tar.gz.
File metadata
- Download URL: physical_validation-1.0.2.tar.gz
- Upload date:
- Size: 3.3 MB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.5.0 importlib_metadata/4.8.1 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.9.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 5318a5e70e7e55849d31b3dc71c54a73331a731c04381a45851c768395affb73 |
|
| MD5 | 631fd5c2b0deef99803f9ce3915b791e |
|
| BLAKE2b-256 | d5500ef71f7180a818e05af830624bd3d9ef6d93326c675996f5daa9575547d2 |
Provenance
File details
Details for the file physical_validation-1.0.2-py3-none-any.whl.
File metadata
- Download URL: physical_validation-1.0.2-py3-none-any.whl
- Upload date:
- Size: 3.4 MB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.5.0 importlib_metadata/4.8.1 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.9.7
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 3a3001400f1d8b49f7d908e891b18e2a5db25c4f3b4dfac3e8e4cb4c6212ea4a |
|
| MD5 | d6735e977231df2322e65e9103822032 |
|
| BLAKE2b-256 | 65aea2cb432c708f828c88fb40c1a73950788b1d4cdfd77f1668d732229ec8bd |
