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], [-2.4579999999999993,
4.257380885004301, 0.0], [0.0, 0.0, 5.4054]]),
positions=np.array([[ 2.3016712, 0., 1.80161982],
[-1.1508356, 1.99330573, 3.60341982],
[ 1.3071644, 2.26407515, 5.40521982],
[ 1.3767258, 1.13288905, 1.15189074],
[ 3.2465264, 0.62583499, 2.95369074],
[ 2.7507478, 2.49865684, 4.75549074],
[ 0.2927478, 1.75872404, 4.25350926],
[-1.0812742, 3.12449183, 2.45170926],
[ 0.7885264, 3.63154589, 0.64990926]]))
#+END_SRC
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" or "license" for more information.
python.el: native completion setup loaded
and
as
assert
break
class
continue
def
del
elif
else
....[SNIPPED]....
AttributeError
OverflowError
0__dummy_completion__ 1__dummy_completion__
#+end_example
The same python script produces no errors in a python interpreter
started from the command line and it reports no errors when run as
'python twaddle.py'.
Any help in debugging this will be much appreciated.
Roger
Org mode version 9.0.3 (release_9.0.3-170-gfed1cf @
/home/rmason/.emacs.d/org-git/org-mode/lisp/)
GNU Emacs 25.2.1 (i386-portbld-freebsd10.3, GTK+ Version 3.22.15) of 2017-07-03
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
