discrete_metadynamics
Differences
This shows you the differences between two versions of the page.
| Both sides previous revision Previous revision | Next revision Both sides next revision | ||
|
discrete_metadynamics [2010/02/22 22:45] prokop |
discrete_metadynamics [2010/02/22 22:45] prokop |
||
|---|---|---|---|
| Line 2: | Line 2: | ||
| Metadynamika sampluje nekolikanasobne body ktere uz ma jednou nasamplovane. To ji cini neefektivni v techto ohledech: | Metadynamika sampluje nekolikanasobne body ktere uz ma jednou nasamplovane. To ji cini neefektivni v techto ohledech: | ||
| - | -V kazdem kroku se sumuje prez mnoho gaussianu (vsechny zatim ulozene) | + | - Ordered List Item |
| - | -Energie systemu se vyhodnocuje (tzn. napr. ab-initio vypocet) se provadi opakovane i v oblastech potencialovych jam kde uz byla energie dobre nasamplovana | + | |
| + | - V kazdem kroku se sumuje prez mnoho gaussianu (vsechny zatim ulozene) | ||
| + | - Energie systemu se vyhodnocuje (tzn. napr. ab-initio vypocet) se provadi opakovane i v oblastech potencialovych jam kde uz byla energie dobre nasamplovana | ||
| == Predpoklady == | == Predpoklady == | ||
discrete_metadynamics.txt · Last modified: 2011/02/18 13:13 (external edit)
Page Tools
Except where otherwise noted, content on this wiki is licensed under the following license: CC Attribution-Noncommercial-Share Alike 4.0 International
