qc2champ: Convert a quantum chmical output file to a CHAMP input file.
Project description
qc2champ is a Python library that connverts outputs from various quantum chemical calculations to CHAMP input files. It relies on cclib for parsers.
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
qc2champ-1.0.0.tar.gz
(299.2 kB
view details)
Built Distribution
qc2champ-1.0.0-py3-none-any.whl
(342.0 kB
view details)
File details
Details for the file qc2champ-1.0.0.tar.gz.
File metadata
- Download URL: qc2champ-1.0.0.tar.gz
- Upload date:
- Size: 299.2 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.6.0 importlib_metadata/4.8.2 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.9.8
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | 7d5cf894f05873e04037535e0f24b82e8a39f57ae58b7ccce92b9fa8f75b6a2d |
|
| MD5 | 42b76b09f51e370cfb96be0184b2ad04 |
|
| BLAKE2b-256 | f1a65b450388fc911d6c3193d9699d9d9570be915ece72b02e0167c3c84d265f |
File details
Details for the file qc2champ-1.0.0-py3-none-any.whl.
File metadata
- Download URL: qc2champ-1.0.0-py3-none-any.whl
- Upload date:
- Size: 342.0 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.6.0 importlib_metadata/4.8.2 pkginfo/1.7.1 requests/2.26.0 requests-toolbelt/0.9.1 tqdm/4.62.3 CPython/3.9.8
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 | e2b0065a239aea31664e6745ff94d16b84866481f7dbaa850725897b8708e7c3 |
|
| MD5 | 4307d9ada66bc853c67523802badea84 |
|
| BLAKE2b-256 | d282d15883e82951459c24d6f5f699e4ed11c492a045c2e7b0a6bdc6c7290214 |
