| Utvikler: | J. Heyrovsky Institute Prague (38) | ||
| Pris: | Gratis | ||
| Rangeringer: | 0 | ||
| Anmeldelser: | 0 Skrive en omtale | ||
| Lister: | 0 + 0 | ||
| Poeng: | 0 + 0 ¡ | ||
| Google Play | |||
Beskrivelse
DFTB+ (authors: B. Hourahine, B. Aradi, V. Blum, F. Bonafé, A. Buccheri, C. Camacho, C. Cevallos, M. Y. Deshaye, T. Dumitrică, A. Dominguez, S. Ehlert, M. Elstner, T. van der Heide, J. Hermann, S. Irle, J. J. Kranz, C. Köhler, T. Kowalczyk, T. Kubař, I. S. Lee, V. Lutsker, R. J. Maurer, S. K. Min, I. Mitchell, C. Negre, T. A. Niehaus, A. M. N. Niklasson, A. J. Page, A. Pecchia, G. Penazzi, M. P. Persson, J. Řezáč, C. G. Sánchez, M. Sternberg, M. Stöhr, F. Stuckenberg, A. Tkatchenko, V. W.-z. Yu, T. Frauenheim) is a general, multipurpose quantum mechanical package used for performing molecular electronic structure calculations. Together with OPSIN, OpenBABEL and X11-Basic interpreter the app enables performing of a desired calculation protocol starting from either the English IUPAC name, or SMILES string, or XYZ input structure, up to custom graphical output (e.g. spectra visualization). Because the DFTB methods need parameters (Slater-Koster files), to provide all the programs features to be available offline, it was necessary to pack the Slater-Koster files to the app installer directly. Please note that the Slater-Koster files are distributed for free in homepage
https://dftb.org/parameters/download
only under the condition that all the works resulting from their use will contain the original citations included in the individual sets distributions.
IMPORTANT !!!
Although this app is composed of open-source codes and resources, licenses for some components (e.g. Slater-Koster files) require the users to cite the original references when publishing the results. Please check all the licensing information under the buttons 'License' and 'About the app'.
All the users of the DFTB+ app comply by downloading, installing and using it with all the licensing conditions of the individual software components and take the responsibility for keeping them.
App source code: https://github.com/alanliska/DFTB
Contact:
Compilation of the source code for Android as well as the Android app development was done by Alan Liška (alan.liska@jh-inst.cas.cz) and Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of the CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.
Website: http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
List of used third-party software:
ACPDFVIEW, ANDROID SHELL, BLAS, DFTB+, DFTD4, GRAPHVIEW, LAPACK, MCTC-LIB, MSTORE, MULTICHARGE, OPENBABEL, OPENBLAS, OPSIN, PYTHON, S-DFTD3, TBLITE, TEST-DRIVE, TOML-F, X11-BASIC.
More info on licenses & references - please refer to the licensing information inside of the app.
Ad
Skjermbilder
Pris
- I dag: Gratis
- Minimum: Gratis
- Maksimalt: Gratis
Spor priser
Ad
Utvikler
- J. Heyrovsky Institute Prague
- Plattformer: Android Apper (38)
- Lister: 0 + 0
- Poeng: 0 + 0 ¡
- Rangeringer: 0
- Anmeldelser: 0
- Rabatter: 0
- Videoer: 1
- RSS: Abonner
Poeng
0 ☹️
Rangeringer
0 ☹️
Lister
0 ☹️
- DFTB+
Anmeldelser
Bli den første til å vurdere 🌟
Tilleggsinformasjon
- Versjon: 1.0.4
- Kategori:
Android Apper›Verktøy - OS:
Android 6.0 - Størrelse:
23 Mb - Egnethet:
Everyone - Google Play Vurdering:
0 - Oppdatert:
- Utgivelsesdato:
DFTB+ Kort nettadresse: Kopiert!- 🌟 Dele
- Google Play
Du vil kanskje også like
-
- Phone by Google
- Android Apper: Verktøy Av: Google LLC
- Gratis
- Lister: 7 + 2 Rangeringer: 0 Anmeldelser: 0
- Poeng: 19 + 46,112,043 (4.4) Versjon: New Google s official phone calling app is now available to download for the first time. Phone helps you easily connect with family and friends, block spam callers, and know who s calling ... ⥯
-
- SHAREit: Transfer, Share Files
- Android Apper: Verktøy Av: Smart Media4U Technology Pte.Ltd.
- * * Gratis
- Lister: 10 + 1 Rangeringer: 4 (2) Anmeldelser: 0
- Poeng: 14 + 18,258,535 (4.3) Versjon: 6.26.68_ww It s time to Share it! Share files, apps, games, videos, photos, music, recordings, documents and more with the SHAREit file transfer app. As a super-fast and safe app to transfer big ... ⥯
-
- gov.br
- Android Apper: Verktøy Av: Serviços e Informações do Brasil
- Gratis
- Lister: 1 + 0 Rangeringer: 0 Anmeldelser: 0
- Poeng: 0 + 12,077,080 (4.6) Versjon: 3.8.0 Agora sim! Estamos de cara nova! E com novidades! O app "gov.br" (antes Meu gov.br) está renovado para que você tenha uma experiência mais simplificada: - Para começar, você pode ... ⥯
-
- MyTelkomsel – Buy Internet
- Android Apper: Verktøy Av: Telkomsel
- * Gratis
- Lister: 3 + 0 Rangeringer: 0 Anmeldelser: 0
- Poeng: 0 + 11,764,039 (3.7) Versjon: 9.1.0 DOING THIS AND THAT HAS BECOME EASIER Now it s easier and faster to check everything, from credit, info, even validity, on the new MyTelkomsel Dashboard! All in one screen, all done in ⥯
-
- myIM3: Data Plan & Buy Package
- Android Apper: Verktøy Av: Indosat Ooredoo Hutchison
- * Gratis
- Lister: 0 + 0 Rangeringer: 0 Anmeldelser: 0
- Poeng: 4 + 10,907,293 (4.4) Versjon: 82.12.0 Unlock a world of convenience right at your fingertips with myIM3 app. More excitement to explore, now accessible for everyone! Detect & block spam, with SATSPAM Plus+ Be safe with ... ⥯
-
- Turbo VPN - Secure VPN Proxy
- Android Apper: Verktøy Av: Innovative Connecting
- * * Gratis
- Lister: 5 + 2 Rangeringer: 0 Anmeldelser: 0
- Poeng: 4 + 9,933,534 (4.7) Versjon: 4.2.9.6 Turbo VPN is a free and unlimited VPN proxy, offering you a fast VPN connection and stable VPN servers. Turbo VPN help you secure your online activities and enjoy the web and app ... ⥯
-
- AVG AntiVirus & Security
- Android Apper: Verktøy Av: AVG Mobile
- * * Gratis
- Lister: 6 + 2 Rangeringer: 5 (1) Anmeldelser: 0
- Poeng: 5 + 7,883,507 (4.6) Versjon: 25.22.0 Get AVG AntiVirus FREE - Mobile Security for Android to help protect you from harmful viruses and malware. Keep your personal data safe with App Lock, Photo Vault, Wi-Fi Security Scan, ⥯
-
- Avast Antivirus & Security
- Android Apper: Verktøy Av: Avast Software
- * * Gratis
- Lister: 7 + 3 Rangeringer: 5 (1) Anmeldelser: 0
- Poeng: 5 + 7,314,691 (4.6) Versjon: 26.1.0.260122076 Protect against viruses & other types of malware with Avast Mobile Security, our free antivirus app for Android. Trusted by hundreds of millions. NEW! Scam Guardian Pro: 24/7 ... ⥯