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User contributions for Klw14

Results for Klw14 talk block log uploads logs

A user with 311 edits. Account created on 2 December 2014.

10:5810:58, 18 August 2016 diff hist +403 Talk:Mod:Hunt Research Group/Starting MD →Quick relaxation
10:5010:50, 18 August 2016 diff hist −13 Mod:Hunt Research Group/conv xyz2conf No edit summary current
10:4910:49, 18 August 2016 diff hist −27 Mod:Hunt Research Group/conv xyz2conf No edit summary
10:4710:47, 18 August 2016 diff hist +20 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
10:4710:47, 18 August 2016 diff hist +57 Talk:Mod:Hunt Research Group/Starting MD →Using packmol
10:4510:45, 18 August 2016 diff hist +2 Talk:Mod:Hunt Research Group/Starting MD →Using packmol
10:4310:43, 18 August 2016 diff hist +7 Talk:Mod:Hunt Research Group/Starting MD →Intro
10:4210:42, 18 August 2016 diff hist +118 Mod:Hunt Research Group/MoltenSaltSimulation →Setting up and running Molten Salt Molecular Dynamic Simulations
10:4010:40, 18 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD No edit summary

16:1716:17, 16 August 2016 diff hist +91 Mod:Hunt Research Group/MoltenSaltSimulation →Checking the system is equilibrated
14:2214:22, 16 August 2016 diff hist +13 Mod:Hunt Research Group/statis2xmgr No edit summary current
14:2114:21, 16 August 2016 diff hist +68 Mod:Hunt Research Group/MoltenSaltSimulation →Checking the system is equilibrated
14:2114:21, 16 August 2016 diff hist +1,930 N Mod:Hunt Research Group/statis2xmgr Created page with "#!/bin/sh if test $1 then if test -e ./STATIS then tmpfile=stat2dl columns=$(echo $*) /usr/bin/awk -v columns=$columns 'BEGIN{\ split(columns, col, ",");\ getline;..."
14:1214:12, 16 August 2016 diff hist −2 Mod:Hunt Research Group/MoltenSaltSimulation →FIELD File
14:1114:11, 16 August 2016 diff hist 0 Mod:Hunt Research Group/MoltenSaltSimulation →FIELD File
14:1114:11, 16 August 2016 diff hist +1 Mod:Hunt Research Group/MoltenSaltSimulation →FIELD File
14:1114:11, 16 August 2016 diff hist +4 Mod:Hunt Research Group/MoltenSaltSimulation →CONTROL File
14:1014:10, 16 August 2016 diff hist +73 Mod:Hunt Research Group/MoltenSaltSimulation →Procedure
14:0714:07, 16 August 2016 diff hist −1 Mod:Hunt Research Group/MoltenSaltSimulation →Making the CONFIG file
14:0614:06, 16 August 2016 diff hist +33 Mod:Hunt Research Group/MoltenSaltSimulation →Setting up and running Molten Salt Molecular Dynamic Simulations
14:0514:05, 16 August 2016 diff hist −6 Mod:Hunt Research Group/MoltenSaltSimulation →Setting up and running Molten Salt Molecular Dynamic Simulations
14:0414:04, 16 August 2016 diff hist +15 Mod:Hunt Research Group/MoltenSaltSimulation →Setting up and running Molten Salt Molecular Dynamic Simulations
14:0314:03, 16 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →quick relaxation
14:0314:03, 16 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →using packmol
14:0314:03, 16 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →number of molecules or volume of cell
14:0314:03, 16 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →intro
13:2213:22, 16 August 2016 diff hist −102 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
13:2013:20, 16 August 2016 diff hist +1,720 Mod:Hunt Research Group/MoltenSaltSimulation →Setting up and running Molten Salt Molecular Dynamic Simulations
13:2013:20, 16 August 2016 diff hist −1,720 Mod:Hunt Research Group/CommonErrors →Points to consider
13:1613:16, 16 August 2016 diff hist +1,679 Mod:Hunt Research Group/CommonErrors →Common Errors
13:0513:05, 16 August 2016 diff hist 0 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
13:0213:02, 16 August 2016 diff hist −117 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
12:5912:59, 16 August 2016 diff hist +75 Talk:Mod:Hunt Research Group/Starting MD →using packmol
11:1211:12, 16 August 2016 diff hist −135 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
11:1011:10, 16 August 2016 diff hist 0 Mod:Hunt Research Group →Setup and Running Classical MD Simulations
11:0911:09, 16 August 2016 diff hist 0 Mod:Hunt Research Group →Setup and Running Classical MD Simulations

16:1116:11, 15 August 2016 diff hist +93 Mod:Hunt Research Group/CommonErrors →Data points clumping
16:1116:11, 15 August 2016 diff hist 0 N File:NaCl packmol 1000K-NPT scale100 energy.tiff No edit summary current
16:1016:10, 15 August 2016 diff hist 0 N File:NaCl packmol 1000K-NPT scale10000 energy.tiff No edit summary current
16:0916:09, 15 August 2016 diff hist +36 Mod:Hunt Research Group/CommonErrors →Data points clumping
16:0716:07, 15 August 2016 diff hist 0 N File:NaCl packmol 1000K energy.tiff No edit summary current
15:2415:24, 15 August 2016 diff hist 0 Talk:Mod:Hunt Research Group/Starting MD →intro
15:0115:01, 15 August 2016 diff hist +180 Mod:Hunt Research Group/packmol to dlpoly scripts No edit summary current
14:5814:58, 15 August 2016 diff hist +828 N Mod:Hunt Research Group/packmol to dlpoly scripts Created page with " <pre> #!/usr/bin/perl $name=$ARGV[0]; $i=1; open(PDB,"${name}.xyz"); while($line=<PDB>){ if($line=~/ NA /){ chomp($line); @data=split(/ +/,$line); $atomType[$i]=$data[1];$a..."
14:2414:24, 15 August 2016 diff hist −3 Mod:Hunt Research Group/BmimBF4 equilibration No edit summary current
14:0314:03, 15 August 2016 diff hist 0 Mod:Hunt Research Group/CommonErrors →exploding simulation
14:0314:03, 15 August 2016 diff hist 0 Mod:Hunt Research Group/CommonErrors →data points clumping
14:0014:00, 15 August 2016 diff hist +42 Mod:Hunt Research Group/CommonErrors →Common Errors
13:3113:31, 15 August 2016 diff hist +1,103 Mod:Hunt Research Group/CommonErrors →Errors
13:2013:20, 15 August 2016 diff hist −7 Mod:Hunt Research Group/MoltenSaltSimulation →CONTROL File

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