GitHub - haoxy97/CASculator: A GUI/command line tool for managing results of ORCA CASSCF calculations

Branches Tags

Name		Name	Last commit message	Last commit date
Latest commit History 1 Commits
images		images
CASculatorManual.pdf		CASculatorManual.pdf
Jmol.jar		Jmol.jar
README.txt		README.txt
Reviews.txt		Reviews.txt
WinSCP.exe		WinSCP.exe
cas_gui.py		cas_gui.py
cas_gui.pyc		cas_gui.pyc
casculator.py		casculator.py
casculator.pyc		casculator.pyc
general.py		general.py
general.pyc		general.pyc
moplot.txt		moplot.txt
msub		msub
rotate_orbs.py		rotate_orbs.py
rotate_orbs.pyc		rotate_orbs.pyc
servers.py		servers.py
servers.pyc		servers.pyc
sshsftp.py		sshsftp.py
sshsftp.pyc		sshsftp.pyc
unix2dos.sh		unix2dos.sh

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README

The Calculator is a graphical user interface (tested on Windows) for analyzing the results of ORCA CASSCF calculations. It also works as a command line tool on linux to rapidly select orbitals from CASSCF output files to plot.  See the CASCulator manual for more details.