scripyt-MWFN
Script to scrap CP properties of multiwfn output
Install via setuptools
$ git clone https://github.com/jeffrichardchemistry/scripyt-MWFN
$ cd scripyt-MWFN
$ python3 setup.py install
Install via pip
$ pip install scripyt-MWFN
Run script
Parameters:
- -p: Path to Multiwfn output file
- -cp: CPs desired to extract the information
$ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6
Saving terminal output into a file:
$ scripyt-MWFN -p path/to/Multiwfn_output_file -cp 1 2 3 4 5 6 > log.txt
1 maintainer
Metadata
1 maintainer
Release files for scripyt-MWFN 1.0.1
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| scripyt-MWFN-1.0.1.tar.gz | 2.7 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| scripyt_MWFN-1.0.1-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 18.2 kB
Release files / scripyt-MWFN-1.0.1.tar.gz
| Download URL | scripyt-MWFN-1.0.1.tar.gz |
|---|---|
| Size | 2.7 kB |
| Tags | Source |
|
SHA-256 checksum How to use checksums |
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| Uploaded via |
twine/3.2.0 pkginfo/1.6.1 requests/2.24.0 setuptools/50.3.2 requests-toolbelt/0.9.1 tqdm/4.51.0 CPython/3.6.12
|
Release files / scripyt_MWFN-1.0.1-py3-none-any.whl
| Download URL | scripyt_MWFN-1.0.1-py3-none-any.whl |
|---|---|
| Size | 15.5 kB |
| Tags | Python 3 |
|
SHA-256 checksum How to use checksums |
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Uploaded using Trusted Publishing? What is trusted publishing? |
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| Uploaded via |
twine/3.2.0 pkginfo/1.6.1 requests/2.24.0 setuptools/50.3.2 requests-toolbelt/0.9.1 tqdm/4.51.0 CPython/3.6.12
|
