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- 08:01, 19 July 2021 diff hist +16 m Potentials
- 14:10, 18 July 2021 diff hist +33 E0 current
- 14:09, 18 July 2021 diff hist +4 N species current
- 14:09, 18 July 2021 diff hist +4 Species current
- 14:08, 18 July 2021 diff hist +929 N Species Created page with "<code>species</code> specifies the labels for the unique atomic species in the simulation, as found in the input XYZ file. It is always used in conjunction with <code>n_spec..."
- 14:01, 18 July 2021 diff hist +603 N N species Created page with "<code>n_species</code> determines the number of unique atomic species in the simulation. It is always used in conjunction with <code>species</code>. === Summary === {| c..."
- 13:57, 18 July 2021 diff hist +1,159 N E0 Created page with "Energy offset for all the <code>n_species</code> atomic species in the simulation. This energy will be added to the GAP prediction. The XML file generated by <code>gap_f..."
- 11:07, 18 July 2021 diff hist +59 m Md nsteps current
- 11:06, 18 July 2021 diff hist +83 Md nsteps
- 11:05, 18 July 2021 diff hist +655 N Md step Created page with "Duration/size of each time step in a molecular dynamics run, in fs. The total duration of the MD run is this number times <code>md_nsteps</code>. It is technically an opti..." current
- 11:01, 18 July 2021 diff hist +13 Md nsteps
- 11:01, 18 July 2021 diff hist +14 Md nsteps
- 10:57, 18 July 2021 diff hist -2 Md nsteps
- 10:57, 18 July 2021 diff hist +530 N Md nsteps Created page with "Number of molecular dynamics steps to run. The total duration of the MD run is this number times md_step. === Summary === {| class="wikitable" |+ Summary for <code>tempe..."
- 10:14, 18 July 2021 diff hist +168 Graphitization simulation with van der Waals corrections →Adding a barostat for pressure coupling
- 10:10, 18 July 2021 diff hist +2 m Graphitization simulation with van der Waals corrections →Adding a barostat for pressure coupling
- 10:09, 18 July 2021 diff hist +1 m Graphitization simulation with van der Waals corrections →Getting ready
- 10:08, 18 July 2021 diff hist +3,364 Graphitization simulation with van der Waals corrections
- 20:29, 17 July 2021 diff hist 0 Graphitization simulation with van der Waals corrections →Initial configuration
- 20:28, 17 July 2021 diff hist 0 Graphitization simulation with van der Waals corrections →Initial configuration
- 19:07, 17 July 2021 diff hist +9 Tutorials
- 18:00, 17 July 2021 diff hist +947 Graphitization simulation with van der Waals corrections →Initial configuration
- 18:00, 17 July 2021 diff hist +536 Template:Reference list
- 08:12, 17 July 2021 diff hist +1,355 N Graphitization simulation with van der Waals corrections Created page with "'''WARNING: TUTORIAL UNDER CONSTRUCTION!!!!''' In this tutorial we are going to carry out simulations of carbon graphitization similar to those in the simple molecular dyna..."
- 07:54, 17 July 2021 diff hist +89 Tutorials
- 09:32, 16 July 2021 diff hist +1,187 Documentation →Parallel support
- 07:38, 16 July 2021 diff hist +748 Documentation →Potential directory (GAP_files/)
- 06:44, 16 July 2021 diff hist +1,008 Documentation →Atoms file (*.xyz)
- 08:24, 15 July 2021 diff hist +896 Documentation →Input file (input)
- 08:12, 15 July 2021 diff hist +671 Documentation →Calculation mode
- 06:59, 15 May 2021 diff hist -637 Quick start
- 06:47, 15 May 2021 diff hist +309 Quick start
- 10:34, 6 May 2021 diff hist +298 N GAP theory Created page with "Gaussian approximation potentials (GAPs) are machine learning based interatomic potentials introduced by Albert Bartók and collaborators in 2010<ref name="bartok_2010" />. <..."
- 10:13, 6 May 2021 diff hist +19 Documentation
- 10:12, 6 May 2021 diff hist -1,569 Template:Reference list
- 09:47, 6 May 2021 diff hist +1,102 N Documentation Created page with "'''TurboGAP''' is a program and associated collection of routines designed for carrying out atomistic calculations based on machine learning interatomic potentials. This page..."
- 09:34, 6 May 2021 diff hist 0 N File:CSC logo.png current
- 09:34, 6 May 2021 diff hist 0 N File:AKA logo.jpg current
- 09:34, 6 May 2021 diff hist 0 N File:Aalto logo.png current
- 09:32, 6 May 2021 diff hist +400 TurboGAP
- 06:24, 6 May 2021 diff hist +975 Installation
- 09:50, 5 May 2021 diff hist +2,211 N Installation Created page with "'''TurboGAP''' is a code in constant development, and the easiest way to install it is via its Github repository. Since it relies on the '''GAP_turbo''' module, you need to ei..."
- 18:39, 4 May 2021 diff hist +70 m Simple molecular dynamics →Graphitization
- 18:37, 4 May 2021 diff hist +32 Simple molecular dynamics →Graphitization
- 03:47, 4 May 2021 diff hist +1,166 N TurboGAP Created page with "Welcome to the official '''TurboGAP''' website! '''TurboGAP''' is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulatio..."
- 03:47, 4 May 2021 diff hist +8 N MediaWiki:Mainpage Created page with "TurboGAP" current
- 14:11, 3 May 2021 diff hist +2 m Simple molecular dynamics →Graphitization
- 17:44, 25 April 2021 diff hist +60 Simple molecular dynamics →Melting and expanding
- 09:26, 25 April 2021 diff hist +316 Simple molecular dynamics →Graphitization
- 19:27, 24 April 2021 diff hist -33 Simple molecular dynamics
