All public logs
Jump to navigation
Jump to search
Combined display of all available logs of TurboGAP. You can narrow down the view by selecting a log type, the username (case-sensitive), or the affected page (also case-sensitive).
(newest | oldest) View (newer 50 | older 50) (20 | 50 | 100 | 250 | 500)- 10:15, 29 March 2024 Uttiyo talk contribs created page Eel md last step (Created page with "<code>eel_md_last_step</code> sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is used while writing data to th...")
- 14:10, 6 November 2023 Uttiyo talk contribs created page Make group (Created page with "<code>make_group</code> creates a group for the atoms within the simulation system which are designated by one of the various styles (presently seven) described below. One or...")
- 13:48, 6 November 2023 Uttiyo talk contribs created page Eph groupID (Created page with "<code>eph_groupID</code> sets the group of atoms for which the nonadiabatic_processes will be applied during the simulation. === Summary === {| class="wikitable" |+ Summa...")
- 13:45, 6 November 2023 Uttiyo talk contribs created page Adapt time groupID (Created page with "<code>adapt_time_groupID</code> sets the group of atoms for which the adaptive_time will be applied during the simulation. === Summary === {| class="wikitable" |+ Summary...")
- 13:29, 6 November 2023 Uttiyo talk contribs created page Eel groupID (Created page with "<code>eel_groupID</code> sets the group of atoms for which the electronic_stopping will be applied during the simulation. === Summary === {| class="wikitable" |+ Summary...")
- 13:24, 6 November 2023 Uttiyo talk contribs created page Optimize groupID (Created page with "<code>optimize_groupID</code> sets the group of atoms for which the optimization by Velocity-Verlet algorithm will be performed during the simulation. === Summary === {| clas...")
- 13:06, 6 November 2023 Uttiyo talk contribs created page Thermostat groupID (Created page with "<code>thermostat_groupID</code> sets the group of atoms for which the thermostat will act during the molecular dynamics simulation. === Summary === {| class="wikitabl...")
- 14:53, 3 November 2023 Miguel Caro talk contribs deleted page File:Amorphous carbon local energy.png (Deleted old revision 20231103104733!Amorphous_carbon_local_energy.png)
- 14:53, 3 November 2023 Miguel Caro talk contribs deleted page File:Amorphous carbon local energy.png (Deleted old revision 20231103105004!Amorphous_carbon_local_energy.png)
- 14:53, 3 November 2023 Miguel Caro talk contribs deleted page File:Amorphous carbon local energy.png (Deleted old revision 20231103105653!Amorphous_carbon_local_energy.png)
- 14:53, 3 November 2023 Miguel Caro talk contribs deleted page File:Amorphous carbon local energy.png (Deleted old revision 20231103105716!Amorphous_carbon_local_energy.png)
- 14:53, 3 November 2023 Miguel Caro talk contribs deleted page File:Amorphous carbon local energy.png (Deleted old revision 20231103145223!Amorphous_carbon_local_energy.png)
- 14:52, 3 November 2023 Tigany Zarrouk talk contribs reverted File:Amorphous carbon local energy.png to an old version (Reverted to version as of 10:56, 3 November 2023 (UTC))
- 10:57, 3 November 2023 Tigany Zarrouk talk contribs reverted File:Amorphous carbon local energy.png to an old version (Reverted to version as of 10:50, 3 November 2023 (UTC))
- 10:56, 3 November 2023 Tigany Zarrouk talk contribs reverted File:Amorphous carbon local energy.png to an old version (Reverted to version as of 10:47, 3 November 2023 (UTC))
- 10:50, 3 November 2023 Tigany Zarrouk talk contribs uploaded a new version of File:Oxygenated amorphous carbon gcmc local energy.png
- 10:50, 3 November 2023 Tigany Zarrouk talk contribs uploaded a new version of File:Amorphous carbon local energy.png
- 10:47, 3 November 2023 Tigany Zarrouk talk contribs uploaded a new version of File:Oxygenated amorphous carbon gcmc.png
- 10:47, 3 November 2023 Tigany Zarrouk talk contribs uploaded a new version of File:Amorphous carbon local energy.png
- 10:47, 3 November 2023 Tigany Zarrouk talk contribs uploaded a new version of File:Amorphous carbon.png
- 10:19, 3 November 2023 Tigany Zarrouk talk contribs created page File:Simple O content monitor.png
- 10:19, 3 November 2023 Tigany Zarrouk talk contribs uploaded File:Simple O content monitor.png
- 19:21, 2 November 2023 Tigany Zarrouk talk contribs created page File:Oxygenated amorphous carbon gcmc local energy.png
- 19:21, 2 November 2023 Tigany Zarrouk talk contribs uploaded File:Oxygenated amorphous carbon gcmc local energy.png
- 19:20, 2 November 2023 Tigany Zarrouk talk contribs created page File:Oxygenated amorphous carbon gcmc.png
- 19:20, 2 November 2023 Tigany Zarrouk talk contribs uploaded File:Oxygenated amorphous carbon gcmc.png
- 14:08, 2 November 2023 Tigany Zarrouk talk contribs created page File:Amorphous carbon local energy.png
- 14:08, 2 November 2023 Tigany Zarrouk talk contribs uploaded File:Amorphous carbon local energy.png
- 13:52, 2 November 2023 Tigany Zarrouk talk contribs created page Monte-Carlo (Created page with "= Running Monte-Carlo = To perform a (Grand-Canonical) Monte-Carlo simulation we must run '''TurboGAP''' in <code>mc</code> mode: <syntaxhighlight lang="bash">srun turbogap...")
- 13:32, 2 November 2023 Tigany Zarrouk talk contribs created page File:Amorphous carbon.png
- 13:32, 2 November 2023 Tigany Zarrouk talk contribs uploaded File:Amorphous carbon.png
- 14:53, 26 October 2023 Tigany Zarrouk talk contribs created page Creating oxygenated amorphous carbon (Created page with "This tutorial will focus on using Grand-Canonical Monte-Carlo (GCMC) to determine equilibrium structures and properties of oxygenated amorphous carbon using '''TurboGAP'''....")
- 11:20, 19 October 2023 User account Patricia Hernandez-Leon talk contribs was created by Miguel Caro talk contribs and password was sent by email
- 11:20, 19 October 2023 User account Paulina Prslja talk contribs was created by Miguel Caro talk contribs and password was sent by email
- 10:47, 28 September 2023 Uttiyo talk contribs created page Eph Ti e (Created page with "<code>eph_Ti_e</code> sets the value of initial electronic temperature in units K. These data correspond to the value of 'T_e' in the text file provided through [[eph_Tinfile]...")
- 10:44, 28 September 2023 Uttiyo talk contribs created page Eph kappa e (Created page with "<code>eph_kappa_e</code> sets the value of electronic heat capacity per volume. These data correspond to the value of 'K_e' in the text file provided through eph_Tinfile i...")
- 10:42, 28 September 2023 Uttiyo talk contribs created page Eph C e (Created page with "<code>eph_C_e</code> sets the value of electronic heat capacity per volume. These data correspond to the value of 'C_e' in the text file provided through eph_Tinfile input...")
- 10:36, 28 September 2023 Uttiyo talk contribs created page Eph rho e (Created page with "<code>eph_rho_e</code> takes the number of fine grids to be made in the FDM mesh in x-direction. These data correspond to the value of 'rho_e' in the text file provided throug...")
- 10:08, 28 September 2023 Uttiyo talk contribs created page Eph md prev time (Created page with "<code>eph_md_prev_time</code> sets the value of time evolved till the last MD step of a previous run. It is used only in case of restarting a simulation. This value is used wh...")
- 10:04, 28 September 2023 Uttiyo talk contribs created page Eph E prev time (Created page with "<code>eph_E_prev_time</code> sets the value of cumulative energy transfer till the last MD step of a previous run. It is used only in case of restarting a simulation. This val...")
- 09:57, 28 September 2023 Uttiyo talk contribs created page Eph md last step (Created page with "<code>eph_md_last_step</code> sets the value of last MD step of a previous run. It is used only in case of restarting a simulation. This value is used while writing data to th...")
- 09:48, 28 September 2023 Uttiyo talk contribs created page Eph Toutfile (Created page with "<code>eph_Toutfile</code> sets the name of the file where electronic temperature map is written. === Summary === {| class="wikitable" |+ Summary for <code>eph_Toutfile</code...")
- 09:40, 28 September 2023 Uttiyo talk contribs created page Eph freq mesh Tout (Created page with "<code>eph_freq_mesh_Tout</code> sets the interval of MD steps at which the temperature data and other electronic parameters in the full electronic mesh are written to an outpu...")
- 14:01, 27 September 2023 Uttiyo talk contribs created page Eph freq Tout (Created page with "<code>eph_freq_Tout</code> sets the interval of MD steps at which the energy transfer between electronic and atomic systems and the electronic temperature data are written to...")
- 13:32, 27 September 2023 Uttiyo talk contribs created page Eph fdm steps (Created page with "<code>eph_fdm_steps</code> takes the number of steps to perform in the integration of heat diffusion equation. The actual number of steps is calculated from the electronic par...")
- 13:26, 27 September 2023 Uttiyo talk contribs created page Eph gsz (Created page with "<code>eph_gsz</code> takes the number of fine grids to be made in the FDM mesh in z-direction. These data correspond to the value of 'gsz' in the text file provided through ...")
- 13:23, 27 September 2023 Uttiyo talk contribs created page Eph gsy (Created page with "<code>eph_gsy</code> takes the number of fine grids to be made in the FDM mesh in y-direction. These data correspond to the value of 'gsy' in the text file provided through ...")
- 13:22, 27 September 2023 Uttiyo talk contribs created page Eph gsx (Created page with "<code>eph_gsx</code> takes the number of fine grids to be made in the FDM mesh in x-direction. These data correspond to the value of 'gsx' in the text file provided through ...")
- 13:15, 27 September 2023 Uttiyo talk contribs created page Eph box limits (Created page with "<code>eph_box_limits</code> takes the lower and higher limits of mesh boundaries in three dimensions. These data correspond to the values of mesh_xlimit_low, mesh_xlimit_high,...")
- 13:00, 27 September 2023 Uttiyo talk contribs created page Eph Tinfile (Created page with "<code>eph_Tinfile</code> takes the name of the file the parameters to construct the mesh in three dimensions for the electronic system. If this file is provided, then the corr...")
