Differences

This shows you the differences between two versions of the page.

--- tools:ase [2015/09/17 07:08] – oschuett
+++ tools:ase [2017/03/03 16:33] – oschuett
@@ Line 7: / Line 7: @@
 =====Appetizing Example=====
-The ASE provides a very convenient, high level interface to CP2K. It bring about the renown [[w>Python_(programming_language)|Pythonic]] productivity.Running a CP2K calculation can be as easy as this:
+The ASE provides a very convenient, high level interface to CP2K. It bring about the renown [[w>Python_(programming_language)|Pythonic]] productivity. Running a CP2K calculation can be as easy as this:
 <code bash>
 $ export ASE_CP2K_COMMAND="mpirun -n 2 cp2k_shell.popt"
 $ python
 >>> from ase.calculators.cp2k import CP2K
->>> from ase.structure import molecule
+>>> from ase.build import molecule
 >>> calc = CP2K()
 >>> atoms = molecule('H2O', calculator=calc)