User contributions for Carl McBride

5 February 2010

• 13:3713:37, 5 February 2010 diff hist +1,498‎ N ClustersTIP4PQ2005n7.xyz ‎ New page: 21 O 0.632256453842875 2.54798102483714 1.14828085080283 H -0.213340685318762 2.18444117287292 0.885533644774893 H 0.410812753655744 3.269007976067... current
• 13:3613:36, 5 February 2010 diff hist +1,288‎ N ClustersTIP4PQ2005n6.xyz ‎ New page: 18 O -2.01882668176862 0.870261171340618 1.78316224361925 H -1.50392707228182 1.29602605112783 1.09771749800503 H -2.36410908676637 1.592694634308... current
• 13:3613:36, 5 February 2010 diff hist +1,078‎ N ClustersTIP4PQ2005n5.xyz ‎ New page: 15 O -0.963297613044860 -1.62860165589934 1.31454964808717 H -1.01985364990160 -0.686803611276580 1.47594883594079 H -0.663104351918536 -1.996889592183... current
• 13:3513:35, 5 February 2010 diff hist +873‎ N ClustersTIP4PQ2005n4.xyz ‎ New page: 12 O -1.48705635128626 1.20424183632819 -0.205441678903494 H -1.86034790688194 1.84858794519955 0.395976101431681 H -0.549110217557476 1.395212073306... current
• 13:3413:34, 5 February 2010 diff hist +662‎ N ClustersTIP4PQ2005n3.xyz ‎ New page: 9 O 1.23975603526557 1.01299892351930 -8.163026760094017E-002 H 1.99876529221073 1.17380605778776 0.478974631985150 H 0.508109534074869 0.914039806... current
• 13:3313:33, 5 February 2010 diff hist +447‎ N ClustersTIP4PQ2005n2.xyz ‎ New page: 6 O -0.195514310377133 -1.22908406042002 0.755993604208634 H -6.481318423699785E-002 -0.409726741222112 0.278706856956496 H -0.141786322865788 -0.98047814349612... current
• 13:2313:23, 5 February 2010 diff hist +4,023‎ N ClustersqTIP4PFn19.xyz ‎ New page: 57 O -0.203553211480529 2.83853550751902 1.80382810163460 H -7.453622928615049E-002 2.62083812310535 0.873707224461878 H -0.528488094363106 2.025528331261... current
• 13:2113:21, 5 February 2010 diff hist +3,818‎ N ClustersqTIP4PFn18.xyz ‎ New page: 54 O 1.24633531926968 -2.40913940774107 -2.73246225121439 H 1.91108874121405 -2.64606073967896 -2.06920708888173 H 1.76215013431039 -2.172960673942... current
• 13:1913:19, 5 February 2010 diff hist +3,604‎ N ClustersqTIP4PFn17.xyz ‎ New page: 51 O 4.46475891629643 1.37502695641438 -1.65782509888518 H 5.31189690499008 1.77091317197015 -1.52190482125058 H 4.30718561736542 0.8168084089748... current
• 13:1613:16, 5 February 2010 diff hist +17‎ m Water clusters: TIP4PQ/2005 model ‎ Added stub template since structures have yet to be uploaded.
• 13:0313:03, 5 February 2010 diff hist −70‎ ClustersqTIP4PFn16.xyz ‎No edit summary current
• 13:0113:01, 5 February 2010 diff hist +3,473‎ N ClustersqTIP4PFn16.xyz ‎ New page: O 0.268113176354461 2.29495517140798 0.937282773328888 H -0.183119695011276 1.56317143963832 0.493197356353392 H -0.292511482246690 3.05742221102337 ...
• 12:5912:59, 5 February 2010 diff hist +3,188‎ N ClustersqTIP4PFn15.xyz ‎ New page: 45 O -1.70044286017415 -0.884529601361527 -5.22605158742611 H -1.61902832317681 6.749820989760377E-002 -5.07752664306871 H -2.21735302258144 -0.9847002368677... current
• 12:5812:58, 5 February 2010 diff hist +2,978‎ N ClustersqTIP4PFn14.xyz ‎ New page: 42 O -4.65202376521147 1.64958809161644 -3.01088415432209 H -4.76657179241664 0.683227139245363 -2.98720798078296 H -5.43922156950363 1.986594415157... current
• 12:5612:56, 5 February 2010 diff hist +2,758‎ N ClustersqTIP4PFn13.xyz ‎ New page: 39 O 3.18169153410148 4.19734349092268 -1.81957542582506 H 2.23597348210259 4.35229645991254 -1.76176600753611 H 3.28207338214560 3.362434092310... current
• 12:5512:55, 5 February 2010 diff hist +2,558‎ N ClustersqTIP4PFn12.xyz ‎ New page: 36 O 2.50984834463586 -3.06343012446224 2.53166210539392 H 2.19115696697917 -3.33365101686269 1.65195719621804 H 2.87548159496074 -3.843440298611... current
• 12:5312:53, 5 February 2010 diff hist +2,354‎ N ClustersqTIP4PFn11.xyz ‎ New page: 33 O -0.857291673860136 0.712093044560839 -1.96287304736380 H -1.69499903555591 0.402972180166083 -1.59924663317681 H -0.731801315982799 0.185394454843... current
• 12:5212:52, 5 February 2010 diff hist +2,128‎ N ClustersqTIP4PFn10.xyz ‎ New page: 30 O -4.49990800058426 1.56423056277471 3.26087548080650 H -3.89778893530737 0.797801861366424 3.28861756716677 H -5.17604054222662 1.373601998949... current
• 12:5112:51, 5 February 2010 diff hist +1,923‎ N ClustersqTIP4PFn9.xyz ‎ New page: 27 O 1.73120701223491 3.39613280192505 0.363402542044472 H 2.05191683826026 2.60276186512906 0.822124747086978 H 2.29811646021567 4.092706100660... current
• 12:5012:50, 5 February 2010 diff hist +1,718‎ N ClustersqTIP4PFn8.xyz ‎ New page: 24 O 0.949989361628514 0.340886139088720 -3.07433418001123 H 1.31398676025099 1.03243912381765 -3.60530642044544 H 1.38931112332648 0.4157704804773... current
• 12:4612:46, 5 February 2010 diff hist +1,503‎ N ClustersqTIP4PFn7.xyz ‎ New page: 21 O 1.22846524618256 2.09366570314190 0.721491891455006 H 1.58313411466171 1.29686903746660 1.12496996398277 H 0.275608539786681 1.995679942955... current
• 12:4512:45, 5 February 2010 diff hist +1,288‎ N ClustersqTIP4PFn6.xyz ‎ New page: 18 O 0.459723245945328 -0.406003188603971 -1.35224391847087 H -0.131050317424453 -0.921565203845061 -1.87905226176194 H -0.114236981875612 0.1222822524759... current
• 12:4412:44, 5 February 2010 diff hist +1,078‎ N ClustersqTIP4PFn5.xyz ‎ New page: 15 O 0.667753468626251 -1.56319970526192 1.55863113417045 H -0.203425594426447 -1.56016934042186 1.13820447135655 H 0.503032914321069 -1.715019322434... current
• 12:4312:43, 5 February 2010 diff hist +873‎ N ClustersqTIP4PFn4.xyz ‎ New page: 12 O -0.657131435009932 1.44811879585457 0.942062991734754 H -0.388059736425544 2.35051567730386 0.987104557090237 H -0.758013485577069 1.255410319870... current
• 12:4112:41, 5 February 2010 diff hist +657‎ N ClustersqTIP4PFn3.xyz ‎ New page: 9 O 1.16173166292645 1.08569808810808 -0.262345068219914 H 1.23517327329204 1.96149856316349 -0.602313845072122 H 0.545869982784424 0.62505966482654... current
• 12:3712:37, 5 February 2010 diff hist +447‎ N ClustersqTIP4PFn2.xyz ‎ New page: 6 O -0.185903983696061 -1.01104854398776 0.923327208369483 H 0.122451655011643 -0.809793426570364 1.79354649894081 H -1.07673871074778 -1.3145758799876... current
• 12:3512:35, 5 February 2010 diff hist +2,360‎ N Water clusters: q-TIP4P/F model ‎ New page: The following clusters are for the q-TIP4P/F model of water at a temperature of 0K <ref>[http://dx.doi.org/10.1021/jp910770y Briesta S. Gonzál... current
• 12:2412:24, 5 February 2010 diff hist +58‎ m Water clusters ‎ →‎Global minima structures: Added an internal link for the q-TIP4P/F model current
• 11:1011:10, 5 February 2010 diff hist −3,225‎ User:Businessesmarketing1 ‎ Blanked page (spam) current

4 February 2010

• 16:5816:58, 4 February 2010 diff hist 0‎ m Argon ‎ Moved image to Lennard-Jones section
• 13:2213:22, 4 February 2010 diff hist +42‎ m OpenMD ‎No edit summary current
• 13:1113:11, 4 February 2010 diff hist +918‎ N OpenMD ‎ New page: [http://openmd.net/ OpenMD] is an open source molecular dynamics engine which is capable of efficiently simulating liquids, proteins, nanoparticles, interfaces, and...
• 13:0413:04, 4 February 2010 diff hist +62‎ m Materials modelling and computer simulation codes ‎ Added OpenMD
• 12:1912:19, 4 February 2010 diff hist +18‎ m SklogWiki:Community Portal ‎ →‎To-do list
• 12:1112:11, 4 February 2010 diff hist +512‎ TIP4PQ/2005 model of water ‎ →‎References: Added two recent publications
• 11:5111:51, 4 February 2010 diff hist +242‎ Water clusters: TIP4PQ/2005 model ‎ →‎Related reading: Added a new publication.
• 11:5111:51, 4 February 2010 diff hist +242‎ Water clusters: TIP4P/2005 model ‎ →‎Related reading: Added a new publication. current
• 11:5011:50, 4 February 2010 diff hist +243‎ Water clusters: TIP4P model ‎ →‎Related reading: Added a new publication. current
• 11:4811:48, 4 February 2010 diff hist +242‎ Water clusters ‎ →‎Related reading: Added a new reference.
• 11:0211:02, 4 February 2010 diff hist +200‎ m Water ‎ →‎General reading: Added a link to a 'popular' article.

3 February 2010

• 17:4117:41, 3 February 2010 diff hist +263‎ Neon ‎ Added Buckingham potential for neon.
• 17:3717:37, 3 February 2010 diff hist +265‎ Argon ‎ Added Buckingham potential for argon.
• 16:3516:35, 3 February 2010 diff hist +466‎ m CPMD ‎ Added two publications.
• 16:1516:15, 3 February 2010 diff hist +531‎ N WBFF force field ‎ New page: {{Stub-general}} '''WBFF''' (White-Bovill Force-Field) <ref>[http://dx.doi.org/10.1039/P29770001610 David N. J. White and Moira J. Bovill "Molecular mechanics calculatio...
• 16:0516:05, 3 February 2010 diff hist +11‎ m Force fields ‎ →‎List of force fields: Added internal link to the WBFF force-field.
• 15:4415:44, 3 February 2010 diff hist +45‎ m 8-6 Lennard-Jones potential ‎ Added a See Also section
• 15:4315:43, 3 February 2010 diff hist +33‎ m Lennard-Jones model ‎ →‎Related models: Added internal link to the 9-6 Lennard-Jones potential
• 15:4215:42, 3 February 2010 diff hist +34‎ m Idealised models ‎ →‎'Soft' models: Added internal link to the 9-6 Lennard-Jones potential
• 15:4115:41, 3 February 2010 diff hist +1,233‎ N 9-6 Lennard-Jones potential ‎ New page: The '''9-6 Lennard-Jones potential''' (also known as the 6-9 potential) is a variant the more well known Lennard-Jones model. It is used for computing non-bonded interactions. The pote...
• 15:2715:27, 3 February 2010 diff hist +33‎ Lennard-Jones model ‎ →‎Related models: Added internal link to the 8-6 Lennard-Jones potential