nwxc input is not in this build of NWChem

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Forum Regular
Threads 59
Posts 283
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 59
Posts 283
With the time and expertise of the author from nwchemgit, it works.
Edited On 1:48:55 AM PST - Mon, Feb 26th 2018 by Xiongyan21


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