[ase-users] Import Jacapo Calculator

Marcin Dulak Marcin.Dulak at fysik.dtu.dk
Sun Sep 16 11:33:14 CEST 2012


On 09/16/12 03:58, Hesam wrote:
> Hi,
>
yes, you need ScientificPython version at least 2.8 with netcdf support.
On ubuntu:
sudo apt-get install python-scientific

Marcin
> When I want to import from jacapo calculator I got the error that it 
> couldn't find Scientific module.
> Where is that module? Do I need to install some other package?
>
> >>> from ase.calculators.jacapo import *
>
> Traceback (most recent call last):
>   File "<pyshell#8>", line 1, in <module>
>     from ase.calculators.jacapo import *
>   File 
> "C:\Python27\lib\site-packages\ase\calculators\jacapo\__init__.py", 
> line 1, in <module>
>     import Scientific
> ImportError: No module named Scientific
>
> I can successfully import ase itself but when I try to import from 
> jacapo I get the error.
> Thanks


-- 
***********************************
  
Marcin Dulak
Technical University of Denmark
Department of Physics
Building 307, Room 229
DK-2800 Kongens Lyngby
Denmark
Tel.: (+45) 4525 3157
Fax.: (+45) 4593 2399
email: Marcin.Dulak at fysik.dtu.dk

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