vaverageΒΆ
Writes a file containing the positions of molecules and the average carrier velocity on this molecule The following table contains the defaults input options for the calculator, The default OPTIONAL means this option is switched off, if no input is given. REQUIRED arguments have to be specified, otherwise an error is thrown.
Property Name |
Default Value |
Description |
Valid Input |
|---|---|---|---|
ratefile |
rates.dat |
file with kmc rates from kmcmultiple |
|
occfile |
occupation.dat |
file with site occupations from kmcmultiple |
|
output |
velocities.dat |
outputfile name |
Note
An xml file containing the defaults for the vaverage calculator can be created via -p vaverage -o FILENAME command line options `