quantum chemistry app name?


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WPrion

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Message 61262 - Posted: 13 Feb 2024, 16:58:45 UTC
Last modified: 13 Feb 2024, 16:59:55 UTC

What is the name for the Quantum Chemistry on GPU app to be used in app_config.xml?

<name>? ? ? ?</name>


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Ian&Steve C.

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Message 61263 - Posted: 13 Feb 2024, 17:52:27 UTC - in response to Message 61262.  

PYSCFbeta
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mmonnin

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Message 61265 - Posted: 13 Feb 2024, 22:23:49 UTC

Just put something in the app_config file and have the client read it. In the messages it will say it won't know XYZ app that you entered but it does know ABC or in this case it will know the name for the quantum chem app.
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WPrion

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Message 61290 - Posted: 16 Feb 2024, 13:00:12 UTC - in response to Message 61263.  

Thanks!
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