Note
MOPlots is a command line (CMD) tool, which allows you to use
orca_plot
in automated way
to generate a series of plots for MOs for both alpha
and beta
spin channels.
Requires Python 3.7 or higher.
pip install moplots
and orca_plot
from ORCA has to be in your PATH
.
moplots --help
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
alpha
andbeta
spin channels.
The code is licensed under the MIT.