Psi4-help Script
Overview
Psi4-help is a Python script designed to help users explore and understand the keywords and options available in the Psi4 quantum chemistry software. The script reads a YAML file containing Psi4 keyword information and provides a user-friendly interface to view and search through the data.
Features
- List all top-level keys in the Psi4 keyword YAML file.
- Show detailed information for a specific top-level key, including optional parameters and descriptions.
- Print all top-level keys and their detailed information.
- Print all top-level keys and their secondary keys without descriptions.
Requirements
- Python 3.6 or higher
- PyYAML
- colorama
Installation
-
Clone the repository:
git clone https://github.com/FLongWang/psi4-help.git cd psi4-help
1 maintainer
Metadata
1 maintainer
Release files for psi4-help 0.1.0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| psi4-help-0.1.0.tar.gz | 79.2 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| psi4_help-0.1.0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 159.5 kB
Release files / psi4-help-0.1.0.tar.gz
| Download URL | psi4-help-0.1.0.tar.gz |
|---|---|
| Size | 79.2 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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BLAKE2b-256 checksum How to use checksums |
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| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.10.9
|
Release files / psi4_help-0.1.0-py3-none-any.whl
| Download URL | psi4_help-0.1.0-py3-none-any.whl |
|---|---|
| Size | 80.3 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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|
BLAKE2b-256 checksum How to use checksums |
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|
| Upload date | |
|
Uploaded using Trusted Publishing? What is trusted publishing? |
No |
| Uploaded via |
twine/4.0.1 CPython/3.10.9
|
