Difference between revisions of "TurboGAP"
Miguel Caro (talk | contribs) |
Miguel Caro (talk | contribs) |
||
| Line 9: | Line 9: | ||
Welcome to the official '''TurboGAP''' website! | Welcome to the official '''TurboGAP''' website! | ||
| − | '''TurboGAP''' is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via the [http://github.com/libAtoms/ | + | '''TurboGAP''' is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via the [http://github.com/libAtoms/soap_turbo soap_turbo] library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can also be used in combination with the [http://libatoms.github.io QUIP/GAP code] or with '''TurboGAP''''s native interface. Thanks to QUIP/GAP, '''TurboGAP''' <code>soap_turbo</code> descriptors can be used to run MD simulations with LAMMPS. Together with the libraries and the native interface, we also provide a list of interatomic [[potentials]] to be used with the code. |
'''TurboGAP''' is developed in [https://miguelcaro.org Miguel Caro's group] at Aalto University. | '''TurboGAP''' is developed in [https://miguelcaro.org Miguel Caro's group] at Aalto University. | ||
Revision as of 18:04, 19 July 2021
|
What's new? |
|
10/05/2021: The TurboGAP repo has been made public. Expansion of this website will now take place rapidly. |
Welcome to the official TurboGAP website!
TurboGAP is a Fortran code that offers different levels of functionality for machine-learning driven atomistic simulation. The main functionality is provided via the soap_turbo library for efficient construction of accurate SOAP-type many-body atomic descriptors. These can also be used in combination with the QUIP/GAP code or with TurboGAP's native interface. Thanks to QUIP/GAP, TurboGAP soap_turbo descriptors can be used to run MD simulations with LAMMPS. Together with the libraries and the native interface, we also provide a list of interatomic potentials to be used with the code.
TurboGAP is developed in Miguel Caro's group at Aalto University.
TurboGAP is free to use for non-commercial purposes, provided that you adhere to its license. If you want to use TurboGAP for commercial purposes, or purposes not covered by the TurboGAP non-commercial license, please contact the TurboGAP team.
|
|
|
