Simple GPAW input that produces cProfile output

Author: jussienko

demos/performance/gpaw/c6h6.py

@@ -0,0 +1,12 @@
+from ase.build import molecule
+from gpaw import GPAW
+import cProfile
+
+atoms = molecule('C6H6')
+atoms.center(3.5)
+
+calc = GPAW(h=0.2, xc='PBE', txt='benzene.txt')
+
+atoms.set_calculator(calc)
+cProfile.run("atoms.get_potential_energy()", "gpaw.prof")
+