User contributions for Phunt

23 December 2019

• 09:0709:07, 23 December 2019 diff hist +4 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][NTf2]
• 09:0609:06, 23 December 2019 diff hist +2 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][NTf2]
• 09:0509:05, 23 December 2019 diff hist −201 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][NTf2]
• 09:0109:01, 23 December 2019 diff hist 0 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][PF6]
• 09:0009:00, 23 December 2019 diff hist 0 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][BF4]
• 08:5908:59, 23 December 2019 diff hist 0 Mod:Hunt Research Group: Using SMD on ILs →[C4C1Im][PF6]
• 08:5808:58, 23 December 2019 diff hist +978 Mod:Hunt Research Group: Using SMD on ILs →SMD input database
• 08:4808:48, 23 December 2019 diff hist −43 Mod:Hunt Research Group: Using SMD on ILs →SMD input database
• 08:3508:35, 23 December 2019 diff hist −363 Mod:Hunt Research Group: Using SMD on ILs →SMD input database
• 08:2308:23, 23 December 2019 diff hist +1,352 Mod:Hunt Research Group: Using SMD on ILs →SMD input database Tag: Visual edit
• 08:2208:22, 23 December 2019 diff hist +1,208 Mod:Hunt Research Group: Using SMD on ILs →SMD input database Tag: Visual edit

22 December 2019

• 09:4709:47, 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
• 09:4309:43, 22 December 2019 diff hist +190 Mod:Hunt Research Group →Codes to Help Gaussian Analysis
• 08:4708:47, 22 December 2019 diff hist −31 Mod:Hunt Research Group:model freq script No edit summary current
• 08:4708:47, 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..."
• 08:4408:44, 22 December 2019 diff hist +247 Mod:Hunt Research Group →Codes to Help Gaussian Analysis

21 December 2019

• 09:4309:43, 21 December 2019 diff hist −102 Mod:Hunt Research Group →Gaussian General
• 08:3208:32, 21 December 2019 diff hist −7 Mod:Hunt Research Group/hpc Directory on desktop →Using OSXFUSE if your OS is post-Sierra
• 08:3208:32, 21 December 2019 diff hist +83 Mod:Hunt Research Group/hpc Directory on desktop →Using OSXFUSE if your OS is post-Sierra
• 08:3108:31, 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
• 08:2808:28, 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
• 08:0108:01, 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

5 December 2019

• 08:2408:24, 5 December 2019 diff hist +2 Mod:Hunt Research Group/control basics →control file basics current
• 08:2308:23, 5 December 2019 diff hist +31 Mod:Hunt Research Group/control basics →control file basics
• 08:2208:22, 5 December 2019 diff hist +2,615 Mod:Hunt Research Group/control basics →control file basics
• 06:4506:45, 5 December 2019 diff hist +771 Mod:Hunt Research Group/control basics →control file basics
• 06:3506:35, 5 December 2019 diff hist +1 Mod:Hunt Research Group →dl_poly
• 06:3506:35, 5 December 2019 diff hist +22 Mod:Hunt Research Group →dl_poly
• 06:3406:34, 5 December 2019 diff hist +102 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 06:2606:26, 5 December 2019 diff hist +340 Mod:Hunt Research Group →dl_poly
• 06:2206:22, 5 December 2019 diff hist −1,748 Mod:Hunt Research Group/MoltenSaltSimulation →CONTROL File current
• 06:1706:17, 5 December 2019 diff hist +1 Mod:Hunt Research Group/python →using a prepackaged environments
• 06:1706:17, 5 December 2019 diff hist −2 Mod:Hunt Research Group/python →installing python libraries
• 06:1606:16, 5 December 2019 diff hist −2 Mod:Hunt Research Group/python →installing python as a stand alone
• 06:1606:16, 5 December 2019 diff hist +16 Mod:Hunt Research Group/python No edit summary
• 06:1406:14, 5 December 2019 diff hist +1,721 Mod:Hunt Research Group/python No edit summary
• 06:0006:00, 5 December 2019 diff hist −1,508 Mod:Hunt Research Group/MacPorts No edit summary

4 December 2019

• 22:2122:21, 4 December 2019 diff hist +32 Mod:Hunt Research Group/MacPorts →MacPorts
• 22:0822:08, 4 December 2019 diff hist +89 Mod:Hunt Research Group/MacPorts →MacPorts
• 21:2621:26, 4 December 2019 diff hist +37 Mod:Hunt Research Group/MacPorts No edit summary
• 20:5020:50, 4 December 2019 diff hist +152 Mod:Hunt Research Group/MacPorts No edit summary
• 20:3520:35, 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..."
• 20:1720:17, 4 December 2019 diff hist +124 Mod:Hunt Research Group →dl_poly
• 20:1620:16, 4 December 2019 diff hist +1 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 20:1520:15, 4 December 2019 diff hist +46 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
• 20:1320:13, 4 December 2019 diff hist +26 Mod:Hunt Research Group/dl poly basics →viewing simulation data current
• 20:1220:12, 4 December 2019 diff hist +729 Mod:Hunt Research Group/dl poly basics →DL_POLY basics
• 20:0120:01, 4 December 2019 diff hist +4 Mod:Hunt Research Group/MacPorts →MacPorts
• 07:5907:59, 4 December 2019 diff hist +7 Mod:Hunt Research Group/dl poly basics →viewing
• 07:4907:49, 4 December 2019 diff hist +1 Mod:Hunt Research Group/DL POLY test files →DLPOLY test files current