Hi~
Friends.
Does anyone know where the post-processing software APPA (analysis of molecular dynamics output files (trajectories) ) is installed?
Best wishes.
Dear Zhao,
I don’t know the Appa tool very much, but if you are looking for a graphical tool with many features to analyze molecular dynamic trajectories I can recommend you the (q)Agate tool, which is interfaced with all output files of Abinit - especially the netCDF formats - as well as the output files of some other important DFT codes/tools as VASP and phonopy.
You can find the code on its github repository: https://github.com/piti-diablotin/qAgate
It’s very easy to install and use on Ubuntu/LInux and macOS.
I hope this might help you.
Best,
Marcus
Dear Marcus,
Thank you very much, You talk about the (q)Agate tool,it is very usefully postprocess tool to anasy output files of Abinit.
best wishes.
Zhao YS
Dear Marcus and Zhao,
I think “APPA” is the old name for (q)Agate … ! Marcus, could you ask to Jordan to confirm ?
Best,
Xavier
Dear @gonze @mschmitt and @jkend ,
Although APPA is still in ABINIT source tree it is not used anymore. Agate is a new tool developed from scratch which includes all APPA functionnalities in addition to many others.
Agate is still maintained and under development for new features whereas APPA is not maintained anymore.
Cheers,
Jordan.