VCHKPlotter version 0.314159. Author: Ben-Lukas Thornton ([email protected]), s405955
- Python >= 3.10
- A suitable install of pip
- Windows requires you to install dependencies manually. (Install all the packages in DEPENDENCIES.txt to a VENV) These are suitably referenced and cited in the report, where necessary.
Inside the folder that contains setup.py, execute:
pip install .
No install available. See usage instructions for Windows below.
For all specified output types, the program will create a subfolder
in ./output_location with the name identical to the title of the
section in the input file. E.g. "st". Lower case. The program will always print the "sn" section to stdout. If this option
is passed as a command-line flag, then it will be saved additionally as a .txt
file in the sn subfolder, but there will be no graph for this section.
After install, to produce all plots in "verbose" mode, execute:
VCHKPlotter ./path_to_input.vchk ./output_location -a -v
This package provides a ./windows directory. This directory contains
a windows friendly copy of the code and can be executed by running:
python ./__main__.py ...args...
-
Use the
-aflag to request all output types. Note that with use of this flag, you can use the-no-variants of the file-type flags to exclude them. As opposed to typing all the outputs you do want, sometimes it's easier to just specify those you don't. -
Use the
-vfor verbose output. Will catch superfluous arguments and print to stderr in yellow. -
Use the following flags to select manually the types of outputs you want:
-af,-dp,-hwe,-idd,-psc,-psi,-qual,-sis,-sn,-st,-tstv. You can provide these in all capitals or all lower case. -
When using the
-aflag, you can switch off certain outputs by prefixing the above arguments with-no-. The on and off variant of a flag are mutually exclusive. The program will error if you provide-af -no-affor example.