TheoDORE

Visit the quick start page, check the documentation wiki or directly go to your documentation topic of interest:

• Installation
• Input generation: theoinp
• Transition density matrix analysis: analyze_tden.py
• State and difference density matrix analysis: analyze_sden.py, analyze_NOs.py
• Analysis of chemical shielding: plot_VIST.py
• Plotting routines: plot_OmFrag.py, plot...
• Exporting / plotting orbitals and densities
• Information about supported quantum chemical programs
• Complete list of keywords
• Utility scripts

Development: Documentation for TheoDORE 3.0 (alpha)