rutile.py in the example directory can be an introduction of
Cogue. Please see example_rutile. On the top of this example,
three lines of module imports are written:
import cogue
import cogue.calculator.vasp as vasp
import cogue.qsystem.gridengine as ge
To import cogue, a few method becomes ready to use as shownin
cogue. The methods autocalc and
cell return objects of
AutoCalc and
Cell classes,
respectively. These are designed to work for general calculators and queueing system. vasp and
gridengine are necessary to run
the calculation on the specific system environment.