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Mayelana nalolu hlelo lokusebenza

Umbhali wekhodi: Ivo Filot

Ikhasi eliyisiqalo (liqukethe isichasiselo esifushane): https://github.com/ifilot/dftcxx

Ikhodi yomthombo: https://github.com/ifilot/dftcxx

Incazelo nokusebenzisa: I-DFTCXX inika amandla izibalo ze-DFT (izinga le-LDA) ngamasethi esisekelo e-STO-3G, STO-6G, 3-21G kanye ne-6-31G.

Isimo sohlelo: Iphakheji yamanje iqukethe okuhamba ngakubili kwe-DFTCXX yenguqulo eyinhloko ehlanganiswe yezingxenyekazi zekhompuyutha ze-Android eziguqulelwe ukusebenza kumadivayisi esitoko ajwayelekile. Uhlelo lokusebenza ludinga imvume yokufinyelela amafayela endawo. Isebenza ungaxhunyiwe ku-inthanethi futhi ayiqukethe ukukhangisa.

Ilayisensi: Ikhodi yomthombo yoqobo ishicilelwe ngaphansi kwe-GPL v.3 ekhasini eliyisiqalo. Lokhu kusatshalaliswa kushicilelwa mahhala ku-Mobile Chemistry Portal naku-Google Play Isitolo ngemvume enomusa ye-Ivo Filot. Yonke imininingwane ephathelene namalayisensi iyatholakala ngaphakathi kohlelo lokusebenza.

Othintana naye: Ukuhlanganiswa kwekhodi yomthombo ye-Android / Windows kwenziwe ngu-Alan Liška (alan.liska@jh-inst.cas.cz) a Veronika Růžičková (sucha.ver@gmail.com), J. Heyrovský Institute of Physical Chemistry of i-CAS, v.v.i., Dolejškova 3/2155, 182 23 Praha 8, Czech Republic.

Iwebhusayithi http://www.jh-inst.cas.cz/~liska/MobileChemistry.htm
Kubuyekezwe ngo-
Dis 18, 2022

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Ukusekelwa kwe-app

Mayelana nonjiniyela
Ústav fyzikální chemie J. Heyrovského AV ČR, v. v. i.
alan.liska@jh-inst.cas.cz
2155/3 Dolejškova 182 00 Praha Czechia
+420 266 053 287

Okuningi ngo-J. Heyrovsky Institute Prague