MOPlots
[!INFO] MOPlots is a command line (CMD) tool, which allows you to use
orca_plotin automated way to generate a series of plots for MOs for bothalphaandbetaspin channels.
Installation
Requires Python 3.7 or higher.
pip install moplots
and orca_plot from ORCA has to be in your PATH.
Usage
moplots --help
Example
moplots test.gbw -s both -m0 1 -m1 18 -o cube
By executing the above command, you will get a series of cube files for MOs from 1 to 18 for both
alphaandbetaspin channels.
License
The code is licensed under the MIT.
Further reading
1 maintainer
Metadata
1 maintainer
Release files for moplots 0.1.2.post0
For a detailed explanation of source distributions (sdists) and built distributions (wheels), please see the package formats documentation.
Source distribution (sdist)
| File | Size | Uploaded | |
|---|---|---|---|
| moplots-0.1.2.post0.tar.gz | 8.6 kB | Details |
Built distribution (wheel)
| File | Interpreter | ABI | Platform | Reset |
|---|---|---|---|---|
| moplots-0.1.2.post0-py3-none-any.whl | Python 3 | none | any | Details |
Total release size: 17.3 kB
Release files / moplots-0.1.2.post0.tar.gz
| Download URL | moplots-0.1.2.post0.tar.gz |
|---|---|
| Size | 8.6 kB |
| Tags | Source |
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Release files / moplots-0.1.2.post0-py3-none-any.whl
| Download URL | moplots-0.1.2.post0-py3-none-any.whl |
|---|---|
| Size | 8.7 kB |
| Tags | Python 3 |
|
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