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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).

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• 06:22, 27 July 2021 Miguel Caro talk contribs created page Potential (Redirected page to Potentials) Tag: New redirect
• 06:18, 27 July 2021 Miguel Caro talk contribs created page Vdw type (Created page with "<code>vdw_type</code> sets the van der Waals correction method. === Summary === {| class="wikitable" |+ Summary for <code>vdw_type</code> keyword ! style="text-align...")
• 10:47, 26 July 2021 Miguel Caro talk contribs created page Van der Waals correction (Redirected page to Van der Waals corrections) Tag: New redirect
• 10:46, 26 July 2021 Miguel Caro talk contribs created page Dispersion correction (Redirected page to Dispersion corrections) Tag: New redirect
• 10:45, 26 July 2021 Miguel Caro talk contribs created page VdW correction (Redirected page to Van der waals corrections) Tag: New redirect
• 10:44, 26 July 2021 Miguel Caro talk contribs created page Van der Waals corrections (Created page with "Van der Waals corrections or dispersion corrections usually refer to the corrections to the mean-field energy and forces predicted by density functional theory (DF...")
• 14:22, 25 July 2021 Miguel Caro talk contribs created page Core potential (Created page with "A core potential is a tabulated pair-wise interatomic interaction that is added to the other GAP terms during a '''TurboGAP''' calculation. The core potential is defined i...")
• 14:11, 25 July 2021 Miguel Caro talk contribs created page Force (Redirected page to Forces) Tag: New redirect
• 14:10, 25 July 2021 Miguel Caro talk contribs created page Local energies (Redirected page to Local energy) Tag: New redirect
• 13:38, 25 July 2021 Miguel Caro talk contribs created page Forces (Created page with "The forces acting on the atoms (technically, the ''atomic nuclei'') are the negative gradients of the total energy with respect to the atomic positions, i.e., the usual de...")
• 13:00, 25 July 2021 Miguel Caro talk contribs created page Local energy (Created page with "In GAP theory, a local energy is the portion of the total energy ascribed to an individual atom. While interactions based on physical models, like electrostatics...")
• 08:14, 24 July 2021 Miguel Caro talk contribs created page Academic Software Licence (Created page with "== Preamble == '''Academic Software Licence''' ("ASL") is a software license that proposes to offer copyleft style rights to use the software in an academic non-commercial se...")
• 07:45, 24 July 2021 Miguel Caro talk contribs created page ASL (Redirected page to Academic Software Licence) Tag: New redirect
• 07:44, 24 July 2021 Miguel Caro talk contribs created page TurboGAP:General disclaimer (Created page with "The '''TurboGAP''' code is distributed in the hope that it will be useful for ''non-commercial academic research'', but WITHOUT ANY WARRANTY; without even the implied warranty...")
• 07:39, 24 July 2021 Miguel Caro talk contribs created page TurboGAP:About (Redirected page to TurboGAP) Tag: New redirect
• 07:38, 24 July 2021 Miguel Caro talk contribs created page TurboGAP:Privacy policy (Created page with "We do not gather personal data and therefore do not have a privacy policy. In case of doubt, please contact the TurboGAP team.")
• 16:44, 23 July 2021 Miguel Caro talk contribs created page Masses (Created page with "<code>masses</code> sets the masses for all the <code>n_species</code> atomic species in the simulation, in units of ''atomic mass units'' or ''Dalton'' (the mass of a...")
• 18:03, 19 July 2021 Miguel Caro talk contribs created page Md (Redirected page to Molecular dynamics) Tag: New redirect
• 18:03, 19 July 2021 Miguel Caro talk contribs created page Dispersion corrections (Redirected page to Van der Waals corrections) Tag: New redirect
• 18:03, 19 July 2021 Miguel Caro talk contribs created page VdW corrections (Redirected page to Van der Waals corrections) Tag: New redirect
• 17:58, 19 July 2021 Miguel Caro talk contribs created page Total energy (Created page with "The GAP total energy is usually understood as 1) the expectation value of the electronic Hamiltonian plus 2) the classical electrostatic interaction between the electrons...")
• 10:22, 19 July 2021 Miguel Caro talk contribs created page FAQs (Created page with "== How do I cite '''TurboGAP'''? == To cite '''TurboGAP''' in a scientific publication, please add references to this website, '''turbogap.fi''', and the following papers, de...")
• 14:08, 18 July 2021 Miguel Caro talk contribs created page 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 Miguel Caro talk contribs created page 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 Miguel Caro talk contribs created page 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...")
• 11:05, 18 July 2021 Miguel Caro talk contribs created page 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...")
• 10:57, 18 July 2021 Miguel Caro talk contribs created page 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...")
• 08:12, 17 July 2021 Miguel Caro talk contribs created page 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...")
• 10:34, 6 May 2021 Miguel Caro talk contribs created page 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" />. <...")
• 09:47, 6 May 2021 Miguel Caro talk contribs created page 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 Miguel Caro talk contribs created page File:CSC logo.png
• 09:34, 6 May 2021 Miguel Caro talk contribs uploaded File:CSC logo.png
• 09:34, 6 May 2021 Miguel Caro talk contribs created page File:AKA logo.jpg
• 09:34, 6 May 2021 Miguel Caro talk contribs uploaded File:AKA logo.jpg
• 09:34, 6 May 2021 Miguel Caro talk contribs created page File:Aalto logo.png
• 09:34, 6 May 2021 Miguel Caro talk contribs uploaded File:Aalto logo.png
• 09:50, 5 May 2021 Miguel Caro talk contribs created page 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...")
• 03:47, 4 May 2021 Miguel Caro talk contribs created page 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 Miguel Caro talk contribs created page MediaWiki:Mainpage (Created page with "TurboGAP")
• 19:24, 24 April 2021 Miguel Caro talk contribs created page File:Tutorial 002.png
• 19:24, 24 April 2021 Miguel Caro talk contribs uploaded File:Tutorial 002.png
• 18:57, 24 April 2021 Miguel Caro talk contribs created page File:Tutorial 001.png
• 18:57, 24 April 2021 Miguel Caro talk contribs uploaded File:Tutorial 001.png
• 09:40, 23 April 2021 Miguel Caro talk contribs created page Template:Reference list (Created page with "<references> <ref name="caleman_2012"> C. Caleman and P.J. van Maaren and M. Hong and J.S. Hub and L.T. Costa and D. van der Spoel. ''Force field benchmark of organic liquids:...")
• 09:37, 23 April 2021 Miguel Caro talk contribs created page Simple molecular dynamics (Created page with "In this tutorial we will run a very simple MD simulation with '''TurboGAP'''. We will melt a diamond lattice and then quench the liquid down to room temperature to make amorph...")
• 09:31, 23 April 2021 Miguel Caro talk contribs created page Tutorials (Created page with "=== Molecular dynamics === # Running a simple molecular dynamics simulation with '''TurboGAP'''")
• 19:03, 25 August 2020 Miguel Caro talk contribs created page Potentials (Created page with "This pages links the latest versions of the available potentials generated by the TurboGAP team. These potentials can be used with QUIP/GAP or with TurboGAP. They can also be...")
• 14:02, 29 June 2020 Miguel Caro talk contribs created page Quick start (Created page with "This is a quick start guide to fitting GAP potentials using an atomic database and some combination of descriptors. You can do this with QUIP/GAP alone, or add TurboGAP suppor...")
• 13:47, 29 June 2020 Miguel Caro talk contribs created page MediaWiki:Sidebar (Created page with "** What is TurboGAP|turbogap ** Quick start ** The TurboGAP team * navigation ** mainpage|mainpage-description ** recentchanges-url|recentchanges ** randompage-url|randompage...")
• 11:48, 29 June 2020 Miguel Caro talk contribs created page MediaWiki:Common.css (Created page with "CSS placed here will be applied to all skins: No talk tab: #ca-talk { display:none!important; } Adjust sidebar position: div#mw-panel { top: 80px}")

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