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27 March 2015
- 02:2002:20, 27 March 2015 diff hist +99 Rep:Mod:Computational Liquids Will →Velocity-Verlet algorithm
- 02:1802:18, 27 March 2015 diff hist +627 Rep:Mod:Computational Liquids Will →Velocity-Verlet algorithm
- 01:3501:35, 27 March 2015 diff hist +2,199 Rep:Mod:Computational Liquids Will →Intro
26 March 2015
- 17:2617:26, 26 March 2015 diff hist +34 Rep:Mod:Computational Liquids Will →Running Integral Files
- 17:2517:25, 26 March 2015 diff hist 0 N File:FinalGraphforWIKIWF.PNG No edit summary current
- 16:1716:17, 26 March 2015 diff hist +8 Rep:Mod:Computational Liquids Will →VACF files
- 16:1616:16, 26 March 2015 diff hist +215 Rep:Mod:Computational Liquids Will →VACF files
- 16:1516:15, 26 March 2015 diff hist 0 N File:VapourWF.PNG No edit summary current
- 16:1416:14, 26 March 2015 diff hist 0 N File:VapourMillionWF.PNG No edit summary current
- 16:1416:14, 26 March 2015 diff hist 0 N File:SolidWF.PNG No edit summary current
- 16:1416:14, 26 March 2015 diff hist 0 N File:SolidMillionVACFWF.PNG No edit summary current
- 16:1416:14, 26 March 2015 diff hist 0 N File:LiquidWF.PNG No edit summary current
- 16:1416:14, 26 March 2015 diff hist 0 N File:LiquidMillionWF.PNG No edit summary current
- 13:3213:32, 26 March 2015 diff hist +252 Rep:Mod:Computational Liquids Will →Is the trend what you would expect?
- 13:2813:28, 26 March 2015 diff hist −809 Rep:Mod:Computational Liquids Will /* Use software of your choice to plot the density as a function of temperature for both of the pressures that you simulated. Your graph(s) should include error bars in both the x and y directions. You should also include a line corresponding to the d...
- 13:2513:25, 26 March 2015 diff hist +869 Rep:Mod:Computational Liquids Will /* Use software of your choice to plot the density as a function of temperature for both of the pressures that you simulated. Your graph(s) should include error bars in both the x and y directions. You should also include a line corresponding to the d...
- 13:1413:14, 26 March 2015 diff hist +1,322 Rep:Mod:Computational Liquids Will /* Use software of your choice to plot the density as a function of temperature for both of the pressures that you simulated. Your graph(s) should include error bars in both the x and y directions. You should also include a line corresponding to the d...
- 13:0313:03, 26 March 2015 diff hist +240 Rep:Mod:Computational Liquids Will /* Use the LAAMPS Manual to find out the importance of the three numbers 100 1000 100000 in the exert of the script below. How often will values of the temperature, etc., be sampled for the average? How many measurements contribute to the average? Look...
- 13:0113:01, 26 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will /* Use the LAAMPS Manual to find out the importance of the three numbers 100 1000 100000 in the exert of the script below. How often will values of the temperature, etc., be sampled for the average? How many measurements contribute to the average? Look...
- 13:0013:00, 26 March 2015 diff hist +1,150 Rep:Mod:Computational Liquids Will /* Use the LAAMPS Manual to find out the importance of the three numbers 100 1000 100000 in the exert of the script below. How often will values of the temperature, etc., be sampled for the average? How many measurements contribute to the average? Look...
- 12:5012:50, 26 March 2015 diff hist +390 Rep:Mod:Computational Liquids Will →Choose 5 temperatures (above the critical temperature T^* = 1.5), and two pressures to give ten phase points ( five temperatures at each pressure. You should be able to use the results of the previous section to choose a timestep
- 12:4812:48, 26 March 2015 diff hist +198 Rep:Mod:Computational Liquids Will →Choose 5 temperatures (above the critical temperature T^* = 1.5), and two pressures to give ten phase points ( five temperatures at each pressure. You should be able to use the results of the previous section to choose a timestep
- 12:4512:45, 26 March 2015 diff hist +536 Rep:Mod:Computational Liquids Will →Of the five timesteps that you used, which is the largest to give acceptable results? Which one of the five is a particularly bad choice? Why?
- 12:4012:40, 26 March 2015 diff hist +163 Rep:Mod:Computational Liquids Will →TASK: Using the LAMMPS manual, find the purpose of the following commands in the input script:
- 12:2312:23, 26 March 2015 diff hist −3 Rep:Mod:Computational Liquids Will →Volume and number of Water Molecules
- 12:2212:22, 26 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →Cubic Simulation Atomic position
- 12:2212:22, 26 March 2015 diff hist +2 Rep:Mod:Computational Liquids Will →Lennard-Jones parameters and reduced units
- 12:1912:19, 26 March 2015 diff hist +3 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 12:1412:14, 26 March 2015 diff hist +5 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 12:1212:12, 26 March 2015 diff hist +58 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 12:0812:08, 26 March 2015 diff hist −45 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 12:0512:05, 26 March 2015 diff hist +64 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 11:5811:58, 26 March 2015 diff hist −13 Rep:Mod:Computational Liquids Will →Evaluate the integral \int_{2\sigma}^\infty \phi\left(r\right)\mathrm{d}r
- 11:5711:57, 26 March 2015 diff hist +394 Rep:Mod:Computational Liquids Will →Calculations from Theory Subsection
- 11:4711:47, 26 March 2015 diff hist +3 Rep:Mod:Computational Liquids Will →Single Lennard-Jones interaction
- 11:4511:45, 26 March 2015 diff hist −15 Rep:Mod:Computational Liquids Will →Theory tasks
- 11:4311:43, 26 March 2015 diff hist −30 Rep:Mod:Computational Liquids Will →Examining the Timestep
- 11:4211:42, 26 March 2015 diff hist +271 Rep:Mod:Computational Liquids Will →Examining the Timestep
- 11:4011:40, 26 March 2015 diff hist 0 N File:Mass20EnergyWF.PNG No edit summary current
- 11:3911:39, 26 March 2015 diff hist 0 N File:Mass20PositionWF.PNG No edit summary current
- 11:3911:39, 26 March 2015 diff hist 0 N File:Mass20ErrorWF.PNG No edit summary current
- 11:3911:39, 26 March 2015 diff hist 0 N File:Mass05ErrorWF.PNG No edit summary current
- 11:3911:39, 26 March 2015 diff hist 0 N File:Mass05PositionWF.PNG No edit summary current
- 11:3811:38, 26 March 2015 diff hist 0 N File:Mass05EnergyWF.PNG No edit summary current
- 11:3311:33, 26 March 2015 diff hist +28 Rep:Mod:Computational Liquids Will →Examining the Timestep
- 11:3211:32, 26 March 2015 diff hist 0 N File:0.2limit showWF.PNG No edit summary current
- 11:3211:32, 26 March 2015 diff hist +38 Rep:Mod:Computational Liquids Will →Fourth Set
- 11:2911:29, 26 March 2015 diff hist +58 Rep:Mod:Computational Liquids Will →Fourth Set
- 11:2711:27, 26 March 2015 diff hist 0 N File:PositionWF for wiki4.PNG No edit summary current
- 11:2611:26, 26 March 2015 diff hist +372 Rep:Mod:Computational Liquids Will →Theory tasks