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root/OpenMD/branches/development/src/brains/Snapshot.hpp
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Comparing branches/development/src/brains/Snapshot.hpp (file contents):
Revision 1773 by gezelter, Tue Jul 3 18:32:27 2012 UTC vs.
Revision 1774 by gezelter, Wed Aug 8 16:03:02 2012 UTC

# Line 78 | Line 78 | namespace OpenMD{
78      potVec   excludedPotentials;  /**< breakdown of excluded potentials by family */
79      RealType restraintPotential;  /**< potential energy of restraints */
80      RealType rawPotential;        /**< unrestrained potential energy (when restraints are applied) */
81 +    RealType xyArea;              /**< XY area of this frame */
82      RealType volume;              /**< total volume of this frame */
83      RealType pressure;            /**< pressure of this frame */
84      RealType temperature;         /**< temperature of this frame */
# Line 136 | Line 137 | namespace OpenMD{
137      Mat3x3d  getInvHmat();
138              
139      RealType getVolume();
140 +    RealType getXYarea();
141      void     setVolume(const RealType vol);
142  
143      /** Wrapping the vector according to periodic boundary condition*/
# Line 246 | Line 248 | namespace OpenMD{
248      bool hasKineticEnergy;    
249      bool hasShortRangePotential;
250      bool hasLongRangePotential;
251 <    bool hasPotentialEnergy;    
251 >    bool hasPotentialEnergy;    
252 >    bool hasXYarea;
253      bool hasVolume;        
254      bool hasPressure;      
255      bool hasTemperature;    

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