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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).

Logs
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  • 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...")
  • 12:47, 27 September 2023 Uttiyo talk contribs created page Eph betafile (Created page with "<code>eph_betafile</code> takes the name of the file containing the electronic stopping coupling parameter. This file has standard format. In case there are multiple elements...")
  • 12:37, 27 September 2023 Uttiyo talk contribs created page Eph random option (Created page with "<code>eph_random_option</code> sets the option to activate or deactivate the calculation of random forces on the atoms. === Summary === {| class="wikitable" |+ Summary for <...")
  • 12:34, 27 September 2023 Uttiyo talk contribs created page Eph friction option (Created page with "<code>eph_friction_option</code> sets the option to activate or deactivate the calculation of friction forces on the atoms. === Summary === {| class="wikitable" |+ Summary f...")
  • 12:31, 27 September 2023 Uttiyo talk contribs created page Eph fdm option (Created page with "<code>eph_fdm_option</code> sets the option to activate or deactivate the solving of heat diffusion equation by finite difference method (FDM) to update the electronic tempera...")
  • 10:21, 27 September 2023 Uttiyo talk contribs created page Nonadiabatic processes (Created page with "<code>nonadiabatic_processes</code> sets the option to simulate the non-equilibrium phenomena under a radiation cascade where the electronic stopping and electronic-phonon cou...")
  • 09:32, 27 September 2023 Uttiyo talk contribs created page Estop filename (Created page with "<code>estop_filename</code> takes in the name of the text file that contains electronic stopping power data. This file will have energies in eV units and stopping power in eV/...")
  • 08:42, 27 September 2023 Uttiyo talk contribs created page Eel freq out (Created page with "<code>eel_freq_out</code> sets the interval of MD steps at which the electronic energy loss (EEL) data will be written to output file named as 'ElectronicEnergyLoss.txt'. Firs...")
  • 08:32, 27 September 2023 Uttiyo talk contribs created page Eel cut (Created page with "<code>eel_cut</code> sets the lower cut-off kinetic energy of an atom below which there will be no friction force on it due to electronic stopping. === Summary === {| class=...")
  • 14:00, 26 September 2023 Uttiyo talk contribs created page Electronic stopping (Created page with "<code>electronic_stopping</code> sets the option for doing a radiation cascade simulation where the electronic stopping and electronic energy loss will be taken into account....")
  • 12:54, 26 September 2023 Uttiyo talk contribs created page Adapt emax (Created page with "<code>adapt_emax</code> sets the maximum value of energy transfer by an atom in a time-step. When a highly energetic atom comes too close to another atom that it experiences t...")
  • 12:42, 26 September 2023 Uttiyo talk contribs created page Adapt xmax (Created page with "<code>adapt_xmax</code> sets the maximum value of displacement of an atom in a time-step. When a highly energetic atom comes too close to another atom that it experiences the...")
  • 11:19, 26 September 2023 Uttiyo talk contribs created page Adapt tmax (Created page with "<code>adapt_tmax</code> sets the maximum value that a time-step can take in the whole simulation. === Summary === {| class="wikitable" |+ Summary for <code>adaptive_time</co...")
  • 11:15, 26 September 2023 Uttiyo talk contribs created page Adapt tmin (Created page with "<code>adapt_tmin</code> sets the minimum value that a time-step can take in the whole simulation. === Summary === {| class="wikitable" |+ Summary for <code>adaptive_time</co...")
  • 11:04, 26 September 2023 Uttiyo talk contribs created page Adapt tstep interval (Created page with "<code>adapt_tstep_interval</code> sets the interval of MD steps at which the adaptive time algorithm will be called to check if the current time-step is according to the speci...")
  • 10:19, 26 September 2023 Uttiyo talk contribs created page Adaptive time (Created page with "=== Summary === {| class="wikitable" |+ Summary for <code>adaptive_time</code> keyword ! style="text-align:left;"| Required/optional ! style="text-align:left;"| Type ! style=...")
  • 07:50, 20 September 2023 User account Heikki talk contribs was created by Miguel Caro talk contribs and password was sent by email
  • 07:49, 20 September 2023 User account Uttiyo talk contribs was created by Miguel Caro talk contribs and password was sent by email
  • 06:08, 15 August 2023 Miguel Caro talk contribs created page Gap files (Redirected page to Documentation#Potential directory (gap files/)) Tag: New redirect
  • 06:06, 15 August 2023 Miguel Caro talk contribs created page XYZ file (Redirected page to Documentation#Atoms file (*.xyz)) Tag: New redirect
  • 18:34, 14 August 2023 Miguel Caro talk contribs created page File:Mds sites.png
  • 18:34, 14 August 2023 Miguel Caro talk contribs uploaded File:Mds sites.png
  • 18:34, 14 August 2023 Miguel Caro talk contribs deleted page File:Mds sites.png
  • 18:33, 14 August 2023 Miguel Caro talk contribs created page File:Mds np.png
  • 18:33, 14 August 2023 Miguel Caro talk contribs uploaded File:Mds np.png
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