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classical_md [2010/06/22 13:03] zdech |
classical_md [2010/06/22 14:16] zdech |
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* add MEAM potencial | * add MEAM potencial | ||
* global optimization/Metadynamics | * global optimization/Metadynamics | ||
+ | * freq_of_outputs - to write out something on the end of simulation (if freq_of_outputs > num of cycles in the simulation) | ||
==== Optimazlization of the code ==== | ==== Optimazlization of the code ==== |