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* [5] Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011). |
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*/ |
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| 43 |
– |
/** |
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* @file RNEMD.hpp |
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* @author gezelter |
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* @date 03/13/2009 |
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* @time 15:56pm |
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* @version 1.0 |
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*/ |
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#ifndef INTEGRATORS_RNEMD_HPP |
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#define INTEGRATORS_RNEMD_HPP |
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#include "brains/SimInfo.hpp" |
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void writeOutputFile(); |
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void writeReal(int index, unsigned int bin); |
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void writeVector(int index, unsigned int bin); |
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< |
void writeRealStdDev(int index, unsigned int bin); |
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< |
void writeVectorStdDev(int index, unsigned int bin); |
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> |
void writeRealErrorBars(int index, unsigned int bin); |
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> |
void writeVectorErrorBars(int index, unsigned int bin); |
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private: |
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