User contributions for Jb6518

4 September 2019

• 11:4711:47, 4 September 2019 diff hist +11 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:4511:45, 4 September 2019 diff hist +1 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:4511:45, 4 September 2019 diff hist −2 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:4411:44, 4 September 2019 diff hist +1 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:4411:44, 4 September 2019 diff hist −9 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:4311:43, 4 September 2019 diff hist +241 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:3911:39, 4 September 2019 diff hist 0 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:3811:38, 4 September 2019 diff hist +12 Talk:Mod:Hunt Research Group/sort conformers →python script to sort conformers based on relative energies
• 11:3711:37, 4 September 2019 diff hist −61 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:3611:36, 4 September 2019 diff hist +182 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:2011:20, 4 September 2019 diff hist −2 Talk:Mod:Hunt Research Group/sort conformers No edit summary
• 11:1611:16, 4 September 2019 diff hist +11 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:1411:14, 4 September 2019 diff hist +12 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:1311:13, 4 September 2019 diff hist +174 Talk:Mod:Hunt Research Group/sort conformers →python script to create Excel files for the database from sorted conformers
• 11:0711:07, 4 September 2019 diff hist +1,961 Talk:Mod:Hunt Research Group/sort conformers →python script to sort conformers based on relative energies
• 10:5810:58, 4 September 2019 diff hist 0 Talk:Mod:Hunt Research Group/sort conformers →python script to sort conformers based on relative energies
• 10:5710:57, 4 September 2019 diff hist +3,075 Talk:Mod:Hunt Research Group/sort conformers No edit summary
• 10:4110:41, 4 September 2019 diff hist +1 Talk:Mod:Hunt Research Group/sort conformers No edit summary
• 10:4010:40, 4 September 2019 diff hist −4 Talk:Mod:Hunt Research Group/sort conformers No edit summary
• 10:4010:40, 4 September 2019 diff hist +3,362 N Talk:Mod:Hunt Research Group/sort conformers Created page with "===python script to sort conformers based on relative energies=== *copy the code into a script called "sort_conformers.py" *cp into the directory containing the .log files fro..."

18 July 2019

• 12:3212:32, 18 July 2019 diff hist 0 Mod:Hunt Research Group/geomview →Using GaussView 6 to view salvation cavities current
• 12:3212:32, 18 July 2019 diff hist 0 Mod:Hunt Research Group/geomview No edit summary
• 12:3212:32, 18 July 2019 diff hist +99 Mod:Hunt Research Group/geomview No edit summary
• 12:3112:31, 18 July 2019 diff hist 0 N File:Caffeine cavity.png No edit summary current
• 12:2912:29, 18 July 2019 diff hist +102 Mod:Hunt Research Group/geomview →Using GaussView 6 to view salvation cavities
• 12:2812:28, 18 July 2019 diff hist +3 Mod:Hunt Research Group/geomview →Using GaussView 6 to view salvation cavities
• 12:2712:27, 18 July 2019 diff hist +714 Mod:Hunt Research Group/geomview No edit summary Tag: Visual edit: Switched

13 July 2019

• 18:5418:54, 13 July 2019 diff hist +123 N Rep:Mod:JB wiki Created page with "=Personal Wiki= ==What to install on your Windows 10 machine== ===Usefull stuff=== ====Tabs in windows file explorer===="

3 June 2019

• 12:0512:05, 3 June 2019 diff hist +160 Mod:Hunt Research Group/multiwfn →Initial instructions current
• 12:0312:03, 3 June 2019 diff hist 0 Mod:Hunt Research Group/multiwfn →General
• 12:0212:02, 3 June 2019 diff hist +9 Mod:Hunt Research Group/multiwfn →Multiwfn
• 12:0212:02, 3 June 2019 diff hist +2,409 N Mod:Hunt Research Group/multiwfn Created page with "=Multiwfn= Multiwfn is a program which can be used to modify and analyse calculated wave functions. Examples of what can be done with Multiwfn are AIM, NCI, ELF, and LOL calc..."

13 May 2019

• 09:0709:07, 13 May 2019 diff hist +1 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →Preparation
• 09:0609:06, 13 May 2019 diff hist 0 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →Preparation
• 09:0609:06, 13 May 2019 diff hist +13 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary

12 May 2019

• 18:5318:53, 12 May 2019 diff hist −123 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 18:5218:52, 12 May 2019 diff hist −4 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →Old instructions
• 18:5218:52, 12 May 2019 diff hist +7 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary
• 18:5118:51, 12 May 2019 diff hist +105 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →Old instructions
• 18:4918:49, 12 May 2019 diff hist −24 Mod:Hunt Research Group No edit summary
• 18:3818:38, 12 May 2019 diff hist +7 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →old instructions
• 18:3718:37, 12 May 2019 diff hist +2,548 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary

8 April 2019

• 14:5414:54, 8 April 2019 diff hist +3 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →DL_POLY GUI
• 14:5414:54, 8 April 2019 diff hist +1 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave →Testing
• 14:5314:53, 8 April 2019 diff hist +28 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary
• 14:5214:52, 8 April 2019 diff hist −1 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary
• 14:5114:51, 8 April 2019 diff hist +5 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 14:5014:50, 8 April 2019 diff hist +161 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 14:4814:48, 8 April 2019 diff hist +115 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary
• 14:4614:46, 8 April 2019 diff hist −56 Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave No edit summary