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Consult the [http://meta.wikimedia.org/wiki/Help:Contents User's Guide] for information on using the wiki software.
Consult the [http://meta.wikimedia.org/wiki/Help:Contents User's Guide] for information on using the wiki software.
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== NWChem ==
 
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=== Front Matter ===
 
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[[Authors_and_Contributors|Authors and Contributors]]
 
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Preface
 
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[[Guidelines_for_Authors|Guidelines for Authors]]
 
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=== Documentation ===
 
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[[overview|'''Overview''']]
 
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{{:overview}}
 
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[[system_description|'''System Description''']]
 
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{{:system_description}}
 
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[[qm_theories|'''Quantum Mechanical Methods''']]
 
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{{:qm_theories}}
 
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[[classical_methods|'''Classical Methods''']]
 
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{{:classical_methods}}
 
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[[Hybrid_Methods|'''Hybrid Methods''']]
 
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{{:Hybrid_Methods}}
 
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[[pes_analysis|'''Potential Energy Surface Analysis''']]
 
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{{:pes_analysis}}
 
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[[electronic_structure_analysis|'''Electronic Structure Analysis''']]
 
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{{:electronic_structure_analysis}}
 
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[[other_capabilities|'''Other Capabilities''']]
 
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{{:other_capabilities}}
 
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[[examples|'''Examples''']]
 
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{{:examples}}
 
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* [http://www.mediawiki.org/wiki/Manual:Configuration_settings Configuration settings list]
* [http://www.mediawiki.org/wiki/Manual:Configuration_settings Configuration settings list]

Revision as of 11:04, 13 August 2010

MediaWiki has been successfully installed.

Consult the User's Guide for information on using the wiki software.

ASCIIMath4Wiki: <asciimath>15^2 + 10 = sqrt55225</asciimath>
Cite/Refbase: [1]

pchart4mw: INCOMPATIBLE WITH ASCIIMathWiki (I think I may have fixed that, Huub)

pChart

0 <asciimath>1/(1+exp(1+a))</asciimath>


\beta\,\!

\acute{a} \grave{a} \hat{a} \tilde{a} \breve{a}

\nabla \, \partial x \, dx \, \dot x \, \ddot y\, dy/dx\, \frac{dy}{dx}\, \frac{\partial^2 y}{\partial x_1\,\partial x_2}

  • apple
  • carpet
  • geography
  • mountain
  • nowhere
  • postage
  • ragged
  • toast

References

  1. Valiev, M.; Bylaska, E.J.; Govind, N.; Kowalski, K.; Straatsma, T.P.; Van Dam, H.J.J.; Wang, D.; Nieplocha, J.; Apra, E.; Windus, T.L.; de Jong, W.A. (2010). "NWChem: A comprehensive and scalable open-source solution for large scale molecular simulations". Computer Physics Communications 181: 1477-1489. doi:10.1016/j.cpc.2010.04.018. ISSN 0010-4655.