nwxc input is not in this build of NWChem

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Forum Regular
Threads 43
Posts 209
8:27:39 PM PST - Tue, Jan 9th 2018
Dear All
  QA test tddft_he fails using NWCHEM6.8 with the following information



  NWChem Input Module

                               -------------------




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nwxc_input is not in this build of NWChem                   0

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 current input line : 

   36:   xc new autodiff hfexch cpbe96

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A feature requested has not yet been implemented



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Thanks!
Very Best Regards!

Forum Regular
Threads 43
Posts 209
11:53:48 PM PST - Thu, Jan 11th 2018
With the time and expertise of the author from nwchemgit, it works.
Edited On 2:48:55 AM PST - Mon, Feb 26th 2018 by Xiongyan21


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