Reuqesting the dplot task from inside Python

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Hi,

I would like to run the dplot task from inside a Python script. I am able to do everything I need, except the final trigger. The obvious task('dplot') does not exist. Is there perhaps a way around this using the RTDB, or would an additional function have to be implemented in the interface? Or am I missing something?

Thanks a lot,
Ondrej Marsalek

  • Bert Forum:Admin, Forum:Mod, NWChemDeveloper, bureaucrat, sysop
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Hi Ondrej,

An additional function needs to be build into the python interface (in src/python/nwchem_wrap.c).

Bert


Quote: Aug 4th 10:59 am
Hi,

I would like to run the dplot task from inside a Python script. I am able to do everything I need, except the final trigger. The obvious task('dplot') does not exist. Is there perhaps a way around this using the RTDB, or would an additional function have to be implemented in the interface? Or am I missing something?

Thanks a lot,
Ondrej Marsalek


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