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- 06:28, 27 July 2021 diff hist +971 N Vdw sr Created page with "<code>vdw_sr</code> sets the <math>s_\text{R}</math> parameter of the damping function in the Tkatchenko-Scheffler..."
- 06:25, 27 July 2021 diff hist +858 N Vdw rcut Created page with "<code>vdw_rcut</code> sets the cutoff radius for van der Waals corrections, in Angstrom. === Summary === {| class="wikitable" |+ Summary for <code>vdw_rcut</code> ke..." current
- 06:22, 27 July 2021 diff hist +24 N Potential Redirected page to Potentials current Tag: New redirect
- 06:21, 27 July 2021 diff hist -8 m Vdw type
- 06:21, 27 July 2021 diff hist +342 Vdw type
- 06:18, 27 July 2021 diff hist +932 N 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..."
- 06:10, 27 July 2021 diff hist -2 Van der Waals corrections current
- 10:47, 26 July 2021 diff hist +39 N Van der Waals correction Redirected page to Van der Waals corrections current Tag: New redirect
- 10:46, 26 July 2021 diff hist +36 N Dispersion correction Redirected page to Dispersion corrections current Tag: New redirect
- 10:46, 26 July 2021 diff hist 0 VdW correction Changed redirect target from Van der waals corrections to Van der Waals corrections current Tag: Redirect target changed
- 10:45, 26 July 2021 diff hist +39 N VdW correction Redirected page to Van der waals corrections Tag: New redirect
- 10:44, 26 July 2021 diff hist +1,168 N 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 diff hist +848 N 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 diff hist +241 Forces
- 14:11, 25 July 2021 diff hist +20 N Force Redirected page to Forces current Tag: New redirect
- 14:10, 25 July 2021 diff hist +26 N Local energies Redirected page to Local energy current Tag: New redirect
- 14:08, 25 July 2021 diff hist +1 m Forces
- 13:42, 25 July 2021 diff hist -6 m Forces
- 13:41, 25 July 2021 diff hist +17 m Forces
- 13:38, 25 July 2021 diff hist +1,399 N 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..."
- 13:01, 25 July 2021 diff hist +14 m Local energy current
- 13:00, 25 July 2021 diff hist +1,035 N 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 diff hist +16,275 N 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..." current
- 07:45, 24 July 2021 diff hist +39 N ASL Redirected page to Academic Software Licence current Tag: New redirect
- 07:44, 24 July 2021 diff hist +496 N 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..." current
- 07:39, 24 July 2021 diff hist +22 N TurboGAP:About Redirected page to TurboGAP current Tag: New redirect
- 07:38, 24 July 2021 diff hist +130 N 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." current
- 07:36, 24 July 2021 diff hist +10 m Quick start current
- 07:35, 24 July 2021 diff hist +19 m Documentation →Calculation mode
- 07:34, 24 July 2021 diff hist +5 m Documentation →Atoms file (*.xyz)
- 07:30, 24 July 2021 diff hist +2 m TurboGAP
- 16:47, 23 July 2021 diff hist +10 Total energy current
- 16:47, 23 July 2021 diff hist +50 Total energy
- 16:44, 23 July 2021 diff hist -2 m Masses
- 16:44, 23 July 2021 diff hist +992 N 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..."
- 18:08, 19 July 2021 diff hist +137 Documentation
- 18:04, 19 July 2021 diff hist +2 TurboGAP
- 18:03, 19 July 2021 diff hist +32 N Md Redirected page to Molecular dynamics current Tag: New redirect
- 18:03, 19 July 2021 diff hist +39 N Dispersion corrections Redirected page to Van der Waals corrections current Tag: New redirect
- 18:03, 19 July 2021 diff hist +39 N VdW corrections Redirected page to Van der Waals corrections current Tag: New redirect
- 18:01, 19 July 2021 diff hist -18 GAP theory current
- 18:00, 19 July 2021 diff hist -18 FAQs current
- 17:59, 19 July 2021 diff hist +22 Template:Reference list
- 17:58, 19 July 2021 diff hist +1,169 N 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..."
- 17:57, 19 July 2021 diff hist +232 Template:Reference list
- 10:23, 19 July 2021 diff hist +2 m FAQs →If you use van der Waals corrections
- 10:22, 19 July 2021 diff hist +1,298 N 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..."
- 10:21, 19 July 2021 diff hist +226 Template:Reference list
- 10:07, 19 July 2021 diff hist +60 Installation current
- 08:02, 19 July 2021 diff hist +3 Installation
