On Wed, Oct 11, 2017 at 11:26 AM Roger Mason wrote:
> hello,
>
> This python block:
>
> #+BEGIN_SRC python :session true :results output
> import numpy as np
> from ase import Atoms
> from ase.calculators.gulp import GULP, Conditions
>
> quartz = Atoms(symbols='Si3O6', pbc=np.array([True,
Hello,
Roger Mason writes:
> This python block:
[...]
> produces this output:
>
> #+RESULTS:
> #+begin_example
> Python 2.7.13 (default, Jul 2 2017, 01:20:25)
> [GCC 4.2.1 Compatible FreeBSD Clang 3.4.1 (tags/RELEASE_34/dot1-final
> 208032)] on freebsd10
> Type "help", "copyright", "credits
hello,
This python block:
#+BEGIN_SRC python :session true :results output
import numpy as np
from ase import Atoms
from ase.calculators.gulp import GULP, Conditions
quartz = Atoms(symbols='Si3O6', pbc=np.array([True,True,True], dtype=bool),
cell=np.array([[4.916, 0.0, 0.0], [