From NWChem
Viewed 110 times, With a total of 3 Posts
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Forum Regular
Threads 56
Posts 265
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| 9:17:31 PM PDT - Fri, May 17th 2019 |
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It has been around one and a half years since the official release of the last version of NWCHEM, i.e., NWCHEM6.8, which is the indispensable tools of atomic, molecular and perhaps mesoscopic research.
When will the official new version of NWCHEM, including the exscale edition, be released, which is anticipated to include many new functions?
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Edited On 6:47:13 AM PDT - Wed, May 22nd 2019 by Xiongyan21
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Forum Regular
Threads 56
Posts 265
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| 10:04:11 PM PDT - Tue, May 21st 2019 |
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| Does the new version NWCHEM include NEO calculation methods like GAMESS or other similar methods? This function was incorporated into GAMESS previously, requires compilation from source, and is based on the outstanding work of the group of Prof. Sharon Hammes-Schiffer, the current Editor-in-Chief of distinguished, authoritative Chemical Reviews, then in the world-wide famous Pennsylvania State University and now in the same famous Yale University , researchers in US Air Force, et al., and programmed by five other professors, doctors, doctor candidates, or professionals, Webb, et al .
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Edited On 6:27:36 AM PDT - Mon, May 27th 2019 by Xiongyan21
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Forum Regular
Threads 56
Posts 265
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| 2:09:16 AM PDT - Wed, Jun 5th 2019 |
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| Is there still no rough date of the release announced?
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Edited On 2:10:12 AM PDT - Wed, Jun 5th 2019 by Xiongyan21
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Forum Regular
Threads 56
Posts 265
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| 3:47:56 PM PDT - Thu, Jun 6th 2019 |
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| Thanks for the information, and thanks for the clarification of the article to satisfy my specific needs of supersaturated solutions, all on Github, certainly increasing my understanding and use of quantum chemistry.
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Edited On 5:59:12 PM PDT - Thu, Jun 6th 2019 by Xiongyan21
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