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root/group/trunk/OOPSE/libmdtools/SimInfo.hpp
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Comparing trunk/OOPSE/libmdtools/SimInfo.hpp (file contents):
Revision 568 by mmeineke, Mon Jun 30 22:04:01 2003 UTC vs.
Revision 574 by gezelter, Tue Jul 8 20:56:10 2003 UTC

# Line 74 | Line 74 | class SimInfo{ (public)
74    double HmatI[9]; // the inverted Hmat;
75    double boxLx, boxLy, boxLz; // the box Lengths
76    double boxVol;
77 +  int orthoRhombic;
78    
79  
80  
# Line 131 | Line 132 | class SimInfo{ (public)
132    void setBox( double newBox[3] );
133    void setBoxM( double newBox[9] );
134    void getBoxM( double theBox[9] );
135 +  void scaleBox( double scale );
136  
137    void wrapVector( double thePos[3] );
138  

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