Input Description 2-1 (5 December 2014) ********************************* * * * Section 2 - Input Description * * * ********************************* This section of the manual describes the input to GAMESS. The section is written in a reference, rather than tutorial fashion. However, there are frequent reminders that more information can be found on a particular input group, or type of calculation, in the 'Further Information' section of this manual. Numerous complete input files are shown in the 'Input
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Ссылки http://erg.biophys.msu.ru/~comcon1/qmdata/gamess-us-input-2014dec.pdf -- 1427.1 Кб -- 05.04.2015 Похожие документы
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... TYPE: COM PAGN: Murthy.N -- SCAN: Profi Physica E 000 (2001) 000000 www.elsevier.com/locate/physe 1 3 Electron spectrum and infrared transitions in semiconductor superlattices with a unit cell allowing for quasi-localised carrier states A.V. Dmitrieva ; , R. Keiperb , V.V. Makeeva a 5 7 Department of Low Temperature Physics, Faculty of Physics, Moscow State University, Moscow, 119899, Russia b Institut fur Physik, HumboldtUniversitat zu Berlin, Invalidenstr. ... Let us call this subband resonant. ...
... 16 Растяжение золотого наноконтакта с горизонтальным смещением . ... 5 Рис. ... Блок отвечающий за последовательный вызов модулей программы: call read_data call init_random_seed call maxwell do k = 1, nsteps call pos_vel if (tau.ne.0d0) then call thermo_berendsen else if (Rf.ne.0d0) then call thermo_andersen else if (iscal.ne.0d0) then call thermo_scale end if do i = natom - nstat_up + 1, natom call rotate end do t = 2 * ekin / Nf / kbt epot = er - ebound etot = epot + ekin ...
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Ссылки http://genphys.phys.msu.su/rus/diploma/diploma2015/Drozdov_OV.pdf -- 2461.3 Кб -- 05.02.2016 Похожие документы
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