Important file extentions:
These files contain information about one or more molecules. They are used as input file for SIMONAgui and are also part of the output of the POEM++ calculation.
Output files of SIMONAgui are xml. The xml-output file of POEM++ contains a snapshot of the last calculated simulation step. It can be used as input file for POEMPP again.
Contains information about every calculation step carried out. Only the pieces of information selected in SIMONAgui (SIMONA Output) are printed in the log file.
A python file. For example
Parameterfile used by Simona.
This file containes information about the structure of molecules.
Small file which contains coordinates of a molecule.