Keywords

All keywords known to the HUMMR program require an input value in a specific format. The used formats are string, bool, (signed) integer and double. A string input can be any sequence of characters. In contrast, a keyword that requires a bool formatted input can only be set set to true or false. If the keyword is succeeded by any other sequence of characters it will be set to false by default. integer and double inputs are given in numerical format. Note, in the case of double input the program also accepts scientific numbers (e.g. 1.0e-06 = 0.000001). If a keyword requires the input of a vector of input varaibles, the elements of the vector must be separated by blank space. The same holds true if multiple inputs are required by any keyword. In the following pages all possible input blocks and keywords are listed. The keywords are given together with a short description and the format of the corresponding input value.

• General

• SCF

• CASSCF

• CI

• Implicit Solvation

• Orbital Plots

• Spectra

• Integrals

• Basis Sets