No project description provided
Project description
A module that automatises the tedious process of retrieving a Gaussian 16 geometry, and setting up and runninga single point Orca calculation at that geometry. Of course, for a bunch of files at the same time.
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 gibbscorrections-0.4.0.tar.gz.
File metadata
- Download URL: gibbscorrections-0.4.0.tar.gz
- Upload date:
- Size: 7.8 kB
- Tags: Source
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.3.0 pkginfo/1.6.1 requests/2.25.1 setuptools/51.0.0 requests-toolbelt/0.9.1 tqdm/4.55.1 CPython/3.8.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
d21006972ae4a2ab139c4aa8465efcfe2f9a0b215bc70cd189786e105819fd9a
|
|
| MD5 |
8fd695644e9a90c1f99057a15d4a6947
|
|
| BLAKE2b-256 |
e2ec9c506748bb26e2c04ac6721cb9eb3350ab4179cbd42b7bf87907c94afa80
|
File details
Details for the file gibbscorrections-0.4.0-py3-none-any.whl.
File metadata
- Download URL: gibbscorrections-0.4.0-py3-none-any.whl
- Upload date:
- Size: 8.0 kB
- Tags: Python 3
- Uploaded using Trusted Publishing? No
- Uploaded via: twine/3.3.0 pkginfo/1.6.1 requests/2.25.1 setuptools/51.0.0 requests-toolbelt/0.9.1 tqdm/4.55.1 CPython/3.8.5
File hashes
| Algorithm | Hash digest | |
|---|---|---|
| SHA256 |
ae45363ef64e4ca179c6c7205a10d5ecb8713ce8191519d4cb16fc6151cdb120
|
|
| MD5 |
c5be5215114519178b9459c6ed42ba14
|
|
| BLAKE2b-256 |
16be5be5949953e403169cf01c679586340040cacdc4e6d8ac3520271018bbcd
|
