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- 07:57, 1 November 2021 diff hist -4 m Gradient descent →Gradient descent with Armijo-Goldstein backtracking line search and Barzilai-Borwein step optimization
- 07:56, 1 November 2021 diff hist -1 m Gradient descent →Gradient descent with Armijo-Goldstein backtracking line search and Barzilai-Borweing step optimization
- 07:54, 1 November 2021 diff hist +44 m Optimize
- 07:53, 1 November 2021 diff hist +375 Gradient descent
- 07:52, 1 November 2021 diff hist +170 m Optimize
- 17:41, 31 October 2021 diff hist +6 m Gradient descent →Gradient descent with Armijo-Goldstein backtracking line search and Barzilai-Borweing step optimization
- 17:38, 31 October 2021 diff hist +136 m Gradient descent
- 17:35, 31 October 2021 diff hist +1,129 Gradient descent
- 16:23, 31 October 2021 diff hist +11 m Gradient descent
- 16:23, 31 October 2021 diff hist +2 m Gradient descent
- 16:22, 31 October 2021 diff hist +1 m Gradient descent
- 16:22, 31 October 2021 diff hist +979 N Gradient descent Created page with "Gradient descent is a method for finding extrema of a function by following the direction of fastest change in said function, i.e., its gradient. For energy minimization,..."
- 16:10, 31 October 2021 diff hist +13 m Documentation →tubogap md
- 15:27, 31 October 2021 diff hist +26 m Optimize
- 15:26, 31 October 2021 diff hist +795 N Optimize Created page with "<code>optimize</code> selects the method for propagating the atomic positions. Currently, the accepted options are: # <code>"vv"</code> for Velocity Verlet molecular dy..."
- 15:21, 31 October 2021 diff hist +624 Documentation →tubogap md
- 05:22, 11 August 2021 diff hist +1 m Core potential current
- 08:38, 9 August 2021 diff hist +1,190 Graphitization simulation with van der Waals corrections →Adding a barostat for pressure coupling
- 06:47, 9 August 2021 diff hist +32 m Template:Reference list
- 06:43, 9 August 2021 diff hist +18 m Graphitization simulation with van der Waals corrections →Prerequisites for this tutorial
- 06:42, 9 August 2021 diff hist -22 m Graphitization simulation with van der Waals corrections
- 06:40, 9 August 2021 diff hist +1,136 N Write xyz Created page with "<code>write_xyz</code> determines how often (every how many time steps) trajectory information is written to file <code>trajectory_out.xyz</code> during molecular dynami..." current
- 06:34, 9 August 2021 diff hist +3 m Write thermo current
- 06:34, 9 August 2021 diff hist +731 N Write thermo Created page with "<code>write_thermo</code> determines how often (every how many time steps) thermodynamic information is written to file <code>thermo.log</code> during molecular dynamics...."
- 06:26, 9 August 2021 diff hist +39 N Van der Waals Redirected page to Van der Waals corrections current Tag: New redirect
- 06:20, 9 August 2021 diff hist +19 m Graphitization simulation with van der Waals corrections →Adding a barostat for pressure coupling
- 06:20, 9 August 2021 diff hist +9 m Graphitization simulation with van der Waals corrections →Adding a barostat for pressure coupling
- 06:19, 9 August 2021 diff hist +28 N Pair potential Redirected page to Core potential current Tag: New redirect
- 18:24, 8 August 2021 diff hist -2 m Barostat sym current
- 18:24, 8 August 2021 diff hist -2 m Barostat current
- 16:59, 1 August 2021 diff hist +854 Documentation →Files
- 11:58, 1 August 2021 diff hist -101 m Forces current
- 14:32, 30 July 2021 diff hist +14 m Core pot cutoff
- 14:27, 30 July 2021 diff hist -2 Core pot cutoff →Example
- 14:27, 30 July 2021 diff hist +1,117 N Core pot cutoff Created page with "<code>core_pot_cutoff</code> defines an outer cutoff for the tabulated core potential. This is useful when the tabulated core potential has a long tail (20 or 25 A..."
- 14:20, 30 July 2021 diff hist 0 m Pot file current
- 14:19, 30 July 2021 diff hist +28 N Core pot Redirected page to Core potential current Tag: New redirect
- 14:19, 30 July 2021 diff hist +1 m Pot file
- 14:18, 30 July 2021 diff hist +1,074 N Pot file Created page with "<code>pot_file</code> points to the file containing the GAP definitions. This is usually (i.e., if it has been supplied as part of the '''TurboGAP''' official potentials..."
- 14:18, 30 July 2021 diff hist +288 Template:Reference list
- 14:07, 30 July 2021 diff hist +46 N Input file Redirected page to Documentation#Input file (input) current Tag: New redirect
- 14:07, 30 July 2021 diff hist -20 m Simple molecular dynamics →Melting and expanding current
- 14:06, 30 July 2021 diff hist +46 N Atoms file Redirected page to Documentation#Input file (input) current Tag: New redirect
- 14:03, 30 July 2021 diff hist +1 m Documentation →Input file (input)
- 11:50, 30 July 2021 diff hist -12 m Simple molecular dynamics →Melting and expanding
- 11:49, 30 July 2021 diff hist +32 m Simple molecular dynamics
- 11:47, 30 July 2021 diff hist -13 m Simple molecular dynamics →Melting and expanding
- 11:43, 30 July 2021 diff hist +32 m Simple molecular dynamics →Melting and expanding
- 11:42, 30 July 2021 diff hist -2 m Simple molecular dynamics
- 11:41, 30 July 2021 diff hist -2 m Box scaling factor →Example current
