User contributions for Briesta

29 September 2009

• 15:5715:57, 29 September 2009 diff hist +2,550‎ N ClustersTIP4Pn12.xyz ‎ ClustersTIP4Pn12.xyz webpage created
• 15:2815:28, 29 September 2009 diff hist +2,342‎ N ClustersTIP4Pn11.xyz ‎ ClustersTIP4Pn11.xyz webpage created current
• 15:2715:27, 29 September 2009 diff hist +2,132‎ N ClustersTIP4Pn10.xyz ‎ ClustersTIP4Pn10.xyz webpage created current
• 15:2515:25, 29 September 2009 diff hist +3‎ Water clusters ‎ warning changed to include all "Global minima structures" category
• 15:2015:20, 29 September 2009 diff hist +1,922‎ N ClustersTIP4Pn9.xyz ‎ ClustersTIP4Pn9.xyz webpage created current
• 15:1315:13, 29 September 2009 diff hist +1,707‎ N ClustersTIP4Pn8.xyz ‎ ClustersTIP4Pn8.xyz webpage created current
• 15:1115:11, 29 September 2009 diff hist +1,497‎ N ClustersTIP4Pn7.xyz ‎ ClustersTIP4Pn7.xyz webpage created current
• 15:1015:10, 29 September 2009 diff hist −215‎ m ClustersTIP4Pn5.xyz ‎ error corrected current
• 15:0915:09, 29 September 2009 diff hist +1,293‎ N ClustersTIP4Pn6.xyz ‎ ClustersTIP4Pn6.xyz webpage created current
• 15:0715:07, 29 September 2009 diff hist +1,292‎ N ClustersTIP4Pn5.xyz ‎ ClustersTIP4Pn5.xyz webpage created
• 15:0615:06, 29 September 2009 diff hist +867‎ N ClustersTIP4Pn4.xyz ‎ ClustersTIP4Pn4.xyz webpage created current
• 15:0515:05, 29 September 2009 diff hist 0‎ m ClustersTIP4Pn3.xyz ‎ error corrected current
• 15:0215:02, 29 September 2009 diff hist +661‎ N ClustersTIP4Pn3.xyz ‎ ClustersTIP4Pn3.xyz webpage created
• 14:5914:59, 29 September 2009 diff hist +449‎ N ClustersTIP4Pn2.xyz ‎ ClustersTIP4Pn2.xyz webpage created current
• 14:5414:54, 29 September 2009 diff hist +6‎ m Water clusters: TIP4P model ‎ ordering code lines
• 14:5214:52, 29 September 2009 diff hist +50‎ Water clusters: TIP4P model ‎ adding more TIP4P energies and structures
• 11:1611:16, 29 September 2009 diff hist +2,651‎ N Water clusters: TIP4P model ‎ adding TIP4P structures and energies

20 July 2009

• 16:1416:14, 20 July 2009 diff hist +504‎ m Water clusters: TIP3P model ‎ Added two more references.
• 15:4715:47, 20 July 2009 diff hist +87‎ m Water clusters: TIP3P model ‎ Added an external link.
• 15:4515:45, 20 July 2009 diff hist +386‎ Water clusters: TIP3P model ‎ Added a reference.
• 15:3415:34, 20 July 2009 diff hist +82‎ m Water clusters ‎ Added a note about the applets.
• 15:2815:28, 20 July 2009 diff hist 0‎ m Water clusters: TIP3P model ‎ energy changed for n=4
• 15:2715:27, 20 July 2009 diff hist +3‎ m ClustersTIP3Pn4.xyz ‎ coordinates changed current
• 15:2015:20, 20 July 2009 diff hist +122‎ Water clusters: TIP3P model ‎ Added energies
• 15:1315:13, 20 July 2009 diff hist +1,084‎ N ClustersTIP3Pn5.xyz ‎ New page: 15 O 0.381095679274780 -3.37430363038982 -2.69237361786522 H -0.126480113166779 -2.64948409478191 -3.05738771979117 H 6.834325035600231E-002 -4.147098387240... current
• 15:1215:12, 20 July 2009 diff hist +868‎ N ClustersTIP3Pn4.xyz ‎ New page: 12 O 1.27966391905086 1.28256423861446 -2.67373216947586 H 2.13609164432897 0.873300296931587 -2.79728950956341 H 0.651209259439467 0.5981882307687...
• 15:1115:11, 20 July 2009 diff hist +658‎ N ClustersTIP3Pn3.xyz ‎ New page: 9 O -1.03861522284092 1.62527603569372 -1.13473539693873 H -1.07269817586846 2.38031524234879 -1.72209047489664 H -1.00896178566331 0.86775974872403... current
• 15:0815:08, 20 July 2009 diff hist +3,613‎ N ClustersTIP3Pn20.xyz ‎ New page: 60 Energy of minimum 3359= -859.3059506556 O 0.1743840298 0.1488681442 -2.4330383734 H 0.6641373375 0.9207458047 -2.1491750021 H -0.656837930... current
• 15:0715:07, 20 July 2009 diff hist +3,435‎ N ClustersTIP3Pn19.xyz ‎ New page: 57 Energy of minimum 51866= -810.4673371144 O 5.2381329694 -0.2867572733 -0.6042842578 H 5.2166224273 -0.0920506403 -1.5412252712 H 4.621096022... current
• 15:0615:06, 20 July 2009 diff hist +3,259‎ N ClustersTIP3Pn18.xyz ‎ New page: 54 Energy of minimum 26038= -764.7098519106 O 4.1408560576 0.3260838984 0.0234957546 H 3.7255568941 -0.5245576811 -0.1185160295 H 3.958928789... current
• 15:0615:06, 20 July 2009 diff hist +3,081‎ N ClustersTIP3Pn17.xyz ‎ New page: 51 Energy of minimum 959= -713.6164780472 O 1.2485408204 -1.1633851266 3.6733689462 H 2.1353832450 -0.8076935003 3.7301652469 H 1.113387456... current
• 15:0515:05, 20 July 2009 diff hist +2,904‎ N ClustersTIP3Pn16.xyz ‎ New page: 48 Energy of minimum 14925= -664.1376558322 O 0.8882554970 -0.3081984321 -0.4997759952 H 1.1621912331 -0.2245757250 -1.4131205601 H 1.317400285... current
• 15:0415:04, 20 July 2009 diff hist +2,727‎ N ClustersTIP3Pn15.xyz ‎ New page: 45 Energy of minimum 3777= -619.4692655077 O 1.6201655410 1.2219214433 -0.7436362141 H 1.2276869209 2.0481067522 -0.4614834062 H 1.114970643... current
• 15:0315:03, 20 July 2009 diff hist +2,550‎ N ClustersTIP3Pn14.xyz ‎ New page: 42 Energy of minimum 1189= -572.6937130186 O -2.7790910494 -0.0928124442 -1.1565013678 H -2.5957941132 -0.9859820561 -0.8651560119 H -2.933219913... current
• 15:0315:03, 20 July 2009 diff hist +2,374‎ N ClustersTIP3Pn13.xyz ‎ New page: 39 Energy of minimum 426= -523.3990669197 O -2.4649177921 -2.3782781621 1.5861251163 H -2.6545943750 -2.9342166201 2.3418943031 H -3.217043489... current
• 15:0215:02, 20 July 2009 diff hist +59‎ m ClustersTIP3Pn12.xyz ‎ Added final hydrogen. current
• 14:5914:59, 20 July 2009 diff hist +2,138‎ N ClustersTIP3Pn12.xyz ‎ New page: 36 Energy of minimum 1156= -478.5136913988 O -2.2009802693 -0.3199346058 0.5073836666 H -3.1135601656 -0.1544540299 0.7441239267 H -1.729456990...
• 14:5914:59, 20 July 2009 diff hist +2,020‎ N ClustersTIP3Pn11.xyz ‎ New page: 33 Energy of minimum 924= -428.0691586165 O 1.3881740768 1.2057284492 -2.8680375214 H 1.3615392833 2.1155864012 -2.5719278565 H 1.464151206... current
• 14:5814:58, 20 July 2009 diff hist +1,842‎ N ClustersTIP3Pn10.xyz ‎ New page: 30 Energy of minimum 180= -386.7745982788 O 0.9509276702 3.7294606033 -0.3347364764 H 0.1785733622 4.0808989298 0.1081989188 H 1.579143840... current
• 14:5714:57, 20 July 2009 diff hist +61‎ N Category:Xyz file ‎ New page: The following is a list of molecular files in the xyz format. current
• 14:5614:56, 20 July 2009 diff hist +1,665‎ N ClustersTIP3Pn9.xyz ‎ New page: 27 Energy of minimum 294= -341.5396914640 O -3.7124870432 -0.0545522391 2.2815909651 H -2.9062370128 0.1588546602 2.7513251695 H -4.401417375... current
• 14:5614:56, 20 July 2009 diff hist +1,488‎ N ClustersTIP3Pn8.xyz ‎ New page: 24 Energy of minimum 250= -295.6029810223 O 1.1809521861 -0.1783171033 4.2224861588 H 0.7662557991 -0.7669342838 3.5917813465 H 1.472341607... current
• 14:5514:55, 20 July 2009 diff hist +1,311‎ N ClustersTIP3Pn7.xyz ‎ New page: 21 Energy of minimum 12= -242.3320068566 O 0.4397860785 -0.1362439165 -5.9195829893 H 0.2555521975 0.6582530277 -5.4185197980 H 0.482542234... current
• 14:5214:52, 20 July 2009 diff hist −159‎ m ClustersTIP3Pn6.xyz ‎ Now without vi numbering. current
• 14:5114:51, 20 July 2009 diff hist +1,294‎ N ClustersTIP3Pn6.xyz ‎ New page: 1 18 2 Energy of minimum 0= -199.9530523652 3 O -1.1114448151 0.9120705049 3.2629915614 4 H -1.4065837885 1.4873685056 2....
• 14:4414:44, 20 July 2009 diff hist +1,080‎ Water clusters: TIP3P model ‎ tmp save

14 July 2009

• 14:4914:49, 14 July 2009 diff hist +24‎ m TIP3P model of water ‎ Changed reference to Cite format
• 14:4414:44, 14 July 2009 diff hist +8‎ m ClustersTIP3Pn2.xyz ‎ Slight tidy
• 14:4214:42, 14 July 2009 diff hist 0‎ m ClustersTIP3Pn2.xyz ‎ Clusters tip3p 2 moved to ClustersTIP3Pn2.xyz: Changed to a better name
• 14:3714:37, 14 July 2009 diff hist +69‎ ClustersTIP3Pn2.xyz ‎No edit summary