User contributions
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- 08:46, 4 December 2019 (diff | hist) . . (+109) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:35, 4 December 2019 (diff | hist) . . (+50) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:34, 4 December 2019 (diff | hist) . . (+42) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:26, 4 December 2019 (diff | hist) . . (+2) . . Mod:Hunt Research Group/DL POLY test files
- 08:25, 4 December 2019 (diff | hist) . . (+6) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:25, 4 December 2019 (diff | hist) . . (+14) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:23, 4 December 2019 (diff | hist) . . (+10,145) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:11, 4 December 2019 (diff | hist) . . (+156) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files)
- 08:10, 4 December 2019 (diff | hist) . . (+256) . . N Mod:Hunt Research Group/DL POLY test files (Created page with "==DLPOLY test files== *dl_poly comes with a nice series of test jobs *download these from :: githup for dl_poly classic [https://gitlab.com/DL_POLY_Classic/tests https://gitl...")
- 08:08, 4 December 2019 (diff | hist) . . (+115) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 08:03, 4 December 2019 (diff | hist) . . (+257) . . Mod:Hunt Research Group/Installing DL POLY classic (→DL POLY Classic) (current)
- 07:45, 4 December 2019 (diff | hist) . . (+163) . . Mod:Hunt Research Group/Installing DL POLY classic (→DL POLY Classic)
- 07:42, 4 December 2019 (diff | hist) . . (+73) . . Mod:Hunt Research Group/Installing DL POLY classic
- 07:40, 4 December 2019 (diff | hist) . . (+48) . . N Mod:Hunt Research Group/Installing DL POLY classic (Created page with "==DL POLY Classic== *can be found on github here")
- 07:39, 4 December 2019 (diff | hist) . . (+149) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 07:33, 4 December 2019 (diff | hist) . . (+6) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Preparation) (current)
- 09:06, 3 December 2019 (diff | hist) . . (+36) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 08:58, 3 December 2019 (diff | hist) . . (+85) . . Mod:Hunt Research Group/dl poly basics (→viewing)
- 08:57, 3 December 2019 (diff | hist) . . (+176) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 08:52, 3 December 2019 (diff | hist) . . (+23) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 08:51, 3 December 2019 (diff | hist) . . (+18) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 08:49, 3 December 2019 (diff | hist) . . (+10) . . Mod:Hunt Research Group/dl poly basics (→viewing)
- 08:48, 3 December 2019 (diff | hist) . . (+1,131) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 08:39, 3 December 2019 (diff | hist) . . (+209) . . N Mod:Hunt Research Group/dl poly basics (Created page with "=DL_POLY basics= ==files== *CONTROL file -specifies program run controls *CONFIG file -specifies starting conditions, ie geometry *FIELD file -specifies the forcefield *OUTPUT...")
- 08:28, 3 December 2019 (diff | hist) . . (+117) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 11:57, 2 December 2019 (diff | hist) . . (+31) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Compiling DL_POLY_4.09)
- 11:56, 2 December 2019 (diff | hist) . . (+10) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Compiling DL_POLY_4.09)
- 11:55, 2 December 2019 (diff | hist) . . (+2) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Compiling DL_POLY_4.09)
- 11:55, 2 December 2019 (diff | hist) . . (+17) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Compiling DL_POLY_4.09)
- 11:52, 2 December 2019 (diff | hist) . . (-8) . . Mod:Hunt Research Group/Installing DL POLY 4.09 on MacOS Mojave (→Compiling DL_POLY_4.09)
- 16:38, 1 December 2019 (diff | hist) . . (+352) . . Mod:Hunt Research Group/drobo (→How to access DROBO) (current)
- 15:59, 1 December 2019 (diff | hist) . . (+45) . . Mod:Hunt Research Group/drobo (→web interface)
- 14:03, 1 December 2019 (diff | hist) . . (+79) . . Mod:Hunt Research Group/drobo (→web interface)
- 13:58, 1 December 2019 (diff | hist) . . (+57) . . Mod:Hunt Research Group/drobo (→How to access DROBO)
- 13:49, 1 December 2019 (diff | hist) . . (+164) . . Mod:Hunt Research Group/drobo (→web interface)
- 15:15, 14 November 2019 (diff | hist) . . (+79) . . Mod:Hunt Research Group (→Py-chemshell)
- 15:13, 14 November 2019 (diff | hist) . . (+35) . . Mod:Hunt Research Group (→Running QM/MM Simulations in ChemShell)
- 09:20, 12 October 2019 (diff | hist) . . (+4,810) . . N Talk:Mod:Hunt Research Group/extract scan geom (Created page with "===python script to extract each optimised structure from a scan=== *copy the code into a script called "extract_steps.py" *to execute the script type "python3 extract_steps.p...") (current)
- 09:16, 12 October 2019 (diff | hist) . . (+167) . . Mod:Hunt Research Group (→Codes to Help Gaussian Analysis)
- 18:27, 2 October 2019 (diff | hist) . . (+517) . . Talk:Mod:Hunt Research Group/extract ESP charges (→python script to extract ESP ie CHelpG charges) (current)
- 18:26, 2 October 2019 (diff | hist) . . (-161) . . Talk:Mod:Hunt Research Group/extract ESP charges (Undo revision 794611 by Phunt (talk))
- 18:26, 2 October 2019 (diff | hist) . . (+161) . . Talk:Mod:Hunt Research Group/extract ESP charges (→python script to extract ESP ie CHelpG charges)
- 15:32, 2 October 2019 (diff | hist) . . (+21) . . Talk:Mod:Hunt Research Group/extract ESP charges (→python script to extract ESP ie CHelpG charges)
- 15:01, 2 October 2019 (diff | hist) . . (+58) . . Talk:Mod:Hunt Research Group/extract ESP charges (→python script to extract ESP ie CHelpG charges)
- 21:49, 30 September 2019 (diff | hist) . . (-95) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 11:29, 29 September 2019 (diff | hist) . . (+2) . . Mod:Hunt Research Group:high temp (→How to run at a higher temperature) (current)
- 16:27, 14 September 2019 (diff | hist) . . (+129) . . Mod:Hunt Research Group:high temp (→How to run at a higher temperature)
- 08:38, 14 September 2019 (diff | hist) . . (+26) . . Mod:Hunt Research Group:high temp (→How to run at a higher temperature)
- 08:31, 14 September 2019 (diff | hist) . . (-7) . . Mod:Hunt Research Group:high temp (→How to run at a higher temperature)
- 08:31, 14 September 2019 (diff | hist) . . (+209) . . Mod:Hunt Research Group:high temp (→How to run at a higher temperature)
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