border_search_implementace_ve_fireballu
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border_search_implementace_ve_fireballu [2011/12/15 12:06] prokop |
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| - | Border Search diskretni spusobem sampluje libovolny stavovy prostor. Tento prostoro muze byt tvoren napriklad atomovymi souradnicemi, ale stejne tak jakymikoli jinymi zobecnenymi souradnicemi. Prtotoze je naprosto nerealisticke prozkoumavat cely stavovy prostor poloh vsech atomu, je mnohem smysluplnejsi border search definovat v prostoru parametru z nichz je az geometrie systemu generovana. | ||
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| - | == Schema == | ||
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| - | - Border search urci nejslibnejsi novou pozici v prostoru zvolenych paramteru | ||
| - | - Generace geometrie na zaklade nove kombinace parametru | ||
| - | - Vypocet energie pro danou geometrii | ||
| - | - Border search ulozi energii do pameti a na zaklade ni urci novou | ||
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| - | ** Conding commets ** | ||
| - | <code> | ||
| - | /Fireball_dev/src_1.0_bordersearch | ||
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| - | /LOOPS/main_loop_BS.f90 | ||
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| - | /MODULES/BodredSearch.f90 | ||
| - | </code> | ||
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border_search_implementace_ve_fireballu.txt ยท Last modified: 2012/01/12 10:00 (external edit)
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