6.3.1.4.7. neighborlistΒΆ
Determines neighbouring pairs for exciton transport 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 |
|---|---|---|---|
segmentpairs.pair.type |
REQUIRED |
names of two segmenttypes to create a pair |
|
segmentpairs.pair.cutoff |
REQUIRED |
cutoff value if the segmentname method is used |
|
constant |
1.5 |
contant cutoff for all segmenttypes |
float+ |
exciton_cutoff |
OPTIONAL |
cutoff for classical exciton transition charge treatment |
float+ |
Note
An xml file containing the defaults for the neighborlist calculator can be created via -p neighborlist -o FILENAME command line options `