User contributions for Lge

16:5116:51, 25 June 2009 diff hist 0 N File:Picture 1.png No edit summary current
16:4416:44, 25 June 2009 diff hist 0 N File:Picture 10.png No edit summary current
16:4416:44, 25 June 2009 diff hist +237 N Mod:Hunt Research Group/BmimCl equilibration New page: Equilibration of [Bmim][Cl] (Notes by Ling) 1. NVT (29 ps, 20 ps equilibration, average over 9 ps). temperature 313 ensemble nvt hoover 0.1 0.1 steps 2900000 equi...

14:2814:28, 23 June 2009 diff hist +59 Talk:Mod:Hunt Research Group/vmd No edit summary
14:1114:11, 23 June 2009 diff hist +31 Talk:Mod:Hunt Research Group/voids No edit summary
14:1014:10, 23 June 2009 diff hist +110 Mod:Hunt Research Group No edit summary
14:0914:09, 23 June 2009 diff hist +857 N Talk:Mod:Hunt Research Group/voids New page: Voids in ILs (Notes by Ling) 1. Generate geometry of just pentagon and Cl from REVCON: 1) Using vim, put the coordinates on the same line as with the atomic symbols, after removing the a...
13:3713:37, 23 June 2009 diff hist −58 Talk:Mod:Hunt Research Group/vmd No edit summary
13:3113:31, 23 June 2009 diff hist +97 Talk:Mod:Hunt Research Group/vmd No edit summary
12:4012:40, 23 June 2009 diff hist +16 Mod:Hunt Research Group No edit summary
12:3812:38, 23 June 2009 diff hist +113 Mod:Hunt Research Group No edit summary
12:3712:37, 23 June 2009 diff hist +1,194 N Mod:Hunt Research Group/dlpoly install New page: Install DL_POLY V2.20 serial on iMac --Ling Ge, 25-Feb-09 0. Follow the instructions in W. Smith's email to decrypt. 1. Download Xcode from the mac developer website 2. Install gcc pa...
12:3512:35, 23 June 2009 diff hist +78 Talk:Mod:Hunt Research Group/vmd No edit summary
12:3312:33, 23 June 2009 diff hist +99 Mod:Hunt Research Group No edit summary
11:4511:45, 23 June 2009 diff hist +176 Talk:Mod:Hunt Research Group/vmd No edit summary
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11:2811:28, 23 June 2009 diff hist +199 Talk:Mod:Hunt Research Group/vmd No edit summary
11:2411:24, 23 June 2009 diff hist +552 Talk:Mod:Hunt Research Group/vmd No edit summary
11:2311:23, 23 June 2009 diff hist +81 Talk:Mod:Hunt Research Group/vmd No edit summary
11:1811:18, 23 June 2009 diff hist +98 Talk:Mod:Hunt Research Group/vmd No edit summary
11:1411:14, 23 June 2009 diff hist +207 N Talk:Mod:Hunt Research Group/vmd New page: 1. VMD .xyz file format: 232 generated by VMD O 0.362322 -4.33666 1.47307 O 0.270228 -4.78598 4.21874 O 1.65391 -1.59...

15:0215:02, 19 June 2009 diff hist +142 Mod:Hunt Research Group No edit summary
14:5914:59, 19 June 2009 diff hist 0 Mod:Hunt Research Group No edit summary
14:5814:58, 19 June 2009 diff hist +1 Mod:Hunt Research Group No edit summary
14:5814:58, 19 June 2009 diff hist +93 Mod:Hunt Research Group No edit summary
14:5714:57, 19 June 2009 diff hist −505 Mod:Hunt Research Group/hpc No edit summary
14:5614:56, 19 June 2009 diff hist −935 Mod:Hunt Research Group/hpc No edit summary
14:5614:56, 19 June 2009 diff hist +39 N File:Runcpmd md.sh Sample CPMD run script for Imperial HPC current
14:5114:51, 19 June 2009 diff hist 0 N File:Mpirun.sh No edit summary current
14:4914:49, 19 June 2009 diff hist +8 Mod:Hunt Research Group/hpc No edit summary
14:4814:48, 19 June 2009 diff hist +2,428 N Mod:Hunt Research Group/hpc New page: HPC (Notes by Ling) 1. Useful link: https://scanweb.cc.ic.ac.uk/uportal2/ 2. Servers: all 18GB disk a couple have 80GB disks all 1.8GHz 2 x 8 GB 2 proc 1 x 6 GB 2 proc 4 x 4 GB 2 proc...
14:3814:38, 19 June 2009 diff hist −5,182 Mod:Hunt Research Group Replacing page with ' Car-Parrinello Molecular Dynamics (notes by Ling)'
14:3714:37, 19 June 2009 diff hist +52 Mod:Hunt Research Group No edit summary
14:3614:36, 19 June 2009 diff hist −50 Mod:Hunt Research Group No edit summary
14:3514:35, 19 June 2009 diff hist +127 Mod:Hunt Research Group No edit summary
14:3414:34, 19 June 2009 diff hist +5,181 N Talk:Mod:Hunt Research Group/cpmd New page: Car-Parrinello Molecular Dynamics (notes by Ling) 1. Classical MD vs CPMD a. Classical MD: interactions described by fixed, paramitrized potentials. b. CPMD: interactions calculated di... current

14:3014:30, 28 May 2009 diff hist +87 Mod:Hunt Research Group No edit summary
14:2214:22, 28 May 2009 diff hist −173 Mod:Hunt Research Group No edit summary
14:2014:20, 28 May 2009 diff hist +302 Mod:Hunt Research Group No edit summary

15:5715:57, 26 May 2009 diff hist +539 Mod:Hunt Research Group No edit summary
15:0915:09, 26 May 2009 diff hist +212 Mod:Hunt Research Group No edit summary
14:4214:42, 26 May 2009 diff hist +189 Mod:Hunt Research Group No edit summary
14:2514:25, 26 May 2009 diff hist +2,538 Mod:Hunt Research Group No edit summary

11:1511:15, 19 May 2009 diff hist −100 Mod:Hunt Research Group No edit summary
11:1311:13, 19 May 2009 diff hist −1,367 Mod:Hunt Research Group No edit summary
11:1211:12, 19 May 2009 diff hist +1,764 Mod:Hunt Research Group No edit summary

16:1316:13, 15 May 2009 diff hist +391 Mod:Hunt Research Group No edit summary

14:3914:39, 14 May 2009 diff hist +418 Mod:Hunt Research Group No edit summary
14:3314:33, 14 May 2009 diff hist +16 Mod:Hunt Research Group No edit summary
14:3214:32, 14 May 2009 diff hist +334 Mod:Hunt Research Group No edit summary

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