Prerequisites
- Recent Python installation
- Recent Qt installation with qmake
- OpenMPI
Usage (see script for details)
-
Simply run the run.py Python script:
python run.py
Usage on computer lab
-
You need to start mpd first:
mpd &
Usage on Abel
-
Compile program with
make -f make_abel
Custom geometries
- See md_geometry.py and program/create_cylinder/create_cylinder.cpp
- Good luck!
- (In order to use md_statistics to calculate permeability, flow in z-direction is assumed)