User contributions
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- 10:07, 23 December 2019 (diff | hist) . . (+4) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][NTf2])
- 10:06, 23 December 2019 (diff | hist) . . (+2) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][NTf2])
- 10:05, 23 December 2019 (diff | hist) . . (-201) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][NTf2])
- 10:01, 23 December 2019 (diff | hist) . . (0) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][PF6])
- 10:00, 23 December 2019 (diff | hist) . . (0) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][BF4])
- 09:59, 23 December 2019 (diff | hist) . . (0) . . Mod:Hunt Research Group: Using SMD on ILs (→[C4C1Im][PF6])
- 09:58, 23 December 2019 (diff | hist) . . (+978) . . Mod:Hunt Research Group: Using SMD on ILs (→SMD input database)
- 09:48, 23 December 2019 (diff | hist) . . (-43) . . Mod:Hunt Research Group: Using SMD on ILs (→SMD input database)
- 09:35, 23 December 2019 (diff | hist) . . (-363) . . Mod:Hunt Research Group: Using SMD on ILs (→SMD input database)
- 09:23, 23 December 2019 (diff | hist) . . (+1,352) . . Mod:Hunt Research Group: Using SMD on ILs (→SMD input database) (Tag: VisualEditor)
- 09:22, 23 December 2019 (diff | hist) . . (+1,208) . . Mod:Hunt Research Group: Using SMD on ILs (→SMD input database) (Tag: VisualEditor)
- 10:47, 22 December 2019 (diff | hist) . . (+3,865) . . N Talk:Mod:Hunt Research Group/build freq file (Created page with "=build a frequency input file= *this script will need editing for your particular job *the script extracts the last geometry from the log file supplied and builds a com file,...") (current)
- 10:43, 22 December 2019 (diff | hist) . . (+190) . . Mod:Hunt Research Group (→Codes to Help Gaussian Analysis)
- 09:47, 22 December 2019 (diff | hist) . . (-31) . . Mod:Hunt Research Group:model freq script (current)
- 09:47, 22 December 2019 (diff | hist) . . (+2,098) . . N Mod:Hunt Research Group:model freq script (Created page with "=data script= *script to extract data and print in a format to paste into the template excel sheet used for the database *simply copy and paste this script into a file get_dat...")
- 09:44, 22 December 2019 (diff | hist) . . (+247) . . Mod:Hunt Research Group (→Codes to Help Gaussian Analysis)
- 10:43, 21 December 2019 (diff | hist) . . (-102) . . Mod:Hunt Research Group (→Gaussian General)
- 09:32, 21 December 2019 (diff | hist) . . (-7) . . Mod:Hunt Research Group/hpc Directory on desktop (→Using OSXFUSE if your OS is post-Sierra)
- 09:32, 21 December 2019 (diff | hist) . . (+83) . . Mod:Hunt Research Group/hpc Directory on desktop (→Using OSXFUSE if your OS is post-Sierra)
- 09:31, 21 December 2019 (diff | hist) . . (+107) . . Mod:Hunt Research Group/hpc Directory on desktop (→You can use the command line interface to mount the disk)
- 09:28, 21 December 2019 (diff | hist) . . (+57) . . Mod:Hunt Research Group/SSHkeyfile (→How to... not have to enter your password for every single SSH connection because you have better things to do with your time) (current)
- 09:01, 21 December 2019 (diff | hist) . . (-327) . . Mod:Hunt Research Group/SSHkeyfile (→How to... not have to enter your password for every single SSH connection because you have better things to do with your time)
- 09:24, 5 December 2019 (diff | hist) . . (+2) . . Mod:Hunt Research Group/control basics (→control file basics) (current)
- 09:23, 5 December 2019 (diff | hist) . . (+31) . . Mod:Hunt Research Group/control basics (→control file basics)
- 09:22, 5 December 2019 (diff | hist) . . (+2,615) . . Mod:Hunt Research Group/control basics (→control file basics)
- 07:45, 5 December 2019 (diff | hist) . . (+771) . . Mod:Hunt Research Group/control basics (→control file basics)
- 07:35, 5 December 2019 (diff | hist) . . (+1) . . Mod:Hunt Research Group (→dl_poly)
- 07:35, 5 December 2019 (diff | hist) . . (+22) . . Mod:Hunt Research Group (→dl_poly)
- 07:34, 5 December 2019 (diff | hist) . . (+102) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 07:26, 5 December 2019 (diff | hist) . . (+340) . . Mod:Hunt Research Group (→dl_poly)
- 07:22, 5 December 2019 (diff | hist) . . (-1,748) . . Mod:Hunt Research Group/MoltenSaltSimulation (→CONTROL File) (current)
- 07:17, 5 December 2019 (diff | hist) . . (+1) . . Mod:Hunt Research Group/python (→using a prepackaged environments)
- 07:17, 5 December 2019 (diff | hist) . . (-2) . . Mod:Hunt Research Group/python (→installing python libraries)
- 07:16, 5 December 2019 (diff | hist) . . (-2) . . Mod:Hunt Research Group/python (→installing python as a stand alone)
- 07:16, 5 December 2019 (diff | hist) . . (+16) . . Mod:Hunt Research Group/python
- 07:14, 5 December 2019 (diff | hist) . . (+1,721) . . Mod:Hunt Research Group/python
- 07:00, 5 December 2019 (diff | hist) . . (-1,508) . . Mod:Hunt Research Group/MacPorts
- 23:21, 4 December 2019 (diff | hist) . . (+32) . . Mod:Hunt Research Group/MacPorts (→MacPorts)
- 23:08, 4 December 2019 (diff | hist) . . (+89) . . Mod:Hunt Research Group/MacPorts (→MacPorts)
- 22:26, 4 December 2019 (diff | hist) . . (+37) . . Mod:Hunt Research Group/MacPorts
- 21:50, 4 December 2019 (diff | hist) . . (+152) . . Mod:Hunt Research Group/MacPorts
- 21:35, 4 December 2019 (diff | hist) . . (+1,653) . . N Mod:Hunt Research Group/control basics (Created page with "===control file basics=== <pre> dlpoly run temperature 600.00 ensemble nve integrator leapfrog steps 60000 equilibration 20000 scale 100 print 100 stack 100 stats 100 timestep...")
- 21:17, 4 December 2019 (diff | hist) . . (+124) . . Mod:Hunt Research Group (→dl_poly)
- 21:16, 4 December 2019 (diff | hist) . . (+1) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 21:15, 4 December 2019 (diff | hist) . . (+46) . . Mod:Hunt Research Group (→Setup and Running Classical MD Simulations)
- 21:13, 4 December 2019 (diff | hist) . . (+26) . . Mod:Hunt Research Group/dl poly basics (→viewing simulation data) (current)
- 21:12, 4 December 2019 (diff | hist) . . (+729) . . Mod:Hunt Research Group/dl poly basics (→DL_POLY basics)
- 21:01, 4 December 2019 (diff | hist) . . (+4) . . Mod:Hunt Research Group/MacPorts (→MacPorts)
- 08:59, 4 December 2019 (diff | hist) . . (+7) . . Mod:Hunt Research Group/dl poly basics (→viewing)
- 08:49, 4 December 2019 (diff | hist) . . (+1) . . Mod:Hunt Research Group/DL POLY test files (→DLPOLY test files) (current)
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