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root/OpenMD/trunk/src/brains/Stats.cpp
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Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 1126 by gezelter, Fri Apr 6 21:53:43 2007 UTC vs.
Revision 1275 by cli2, Fri Jul 4 20:54:29 2008 UTC

# Line 73 | Line 73 | namespace oopse {
73      Stats::title_[TEMPERATURE] = "Temperature";
74      Stats::title_[PRESSURE] = "Pressure";
75      Stats::title_[VOLUME] = "Volume";
76 +    Stats::title_[HULLVOLUME] = "Hull Volume";
77 +    Stats::title_[GYRVOLUME] = "Gyrational Volume";
78      Stats::title_[CONSERVED_QUANTITY] = "Conserved Quantity";            
79      Stats::title_[TRANSLATIONAL_KINETIC] = "Translational Kinetic";
80      Stats::title_[ROTATIONAL_KINETIC] = "Rotational Kinetic";
# Line 83 | Line 85 | namespace oopse {
85      Stats::title_[BOND_POTENTIAL] = "Bond Potential";
86      Stats::title_[BEND_POTENTIAL] = "Bend Potential";
87      Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential";
88 <    Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential";
88 >    Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential";
89      Stats::title_[VRAW] = "Raw Potential";
90      Stats::title_[VHARM] = "Harmonic Potential";
91      Stats::title_[PRESSURE_TENSOR_XX] = "P_xx";
# Line 106 | Line 108 | namespace oopse {
108      Stats::units_[TEMPERATURE] = "K";
109      Stats::units_[PRESSURE] = "atm";
110      Stats::units_[VOLUME] = "A^3";
111 +    Stats::units_[HULLVOLUME] = "A^3";
112 +    Stats::units_[GYRVOLUME] = "A^3";
113      Stats::units_[CONSERVED_QUANTITY] = "kcal/mol";            
114      Stats::units_[TRANSLATIONAL_KINETIC] = "kcal/mol";
115      Stats::units_[ROTATIONAL_KINETIC] = "kcal/mol";
# Line 116 | Line 120 | namespace oopse {
120      Stats::units_[BOND_POTENTIAL] = "kcal/mol";
121      Stats::units_[BEND_POTENTIAL] = "kcal/mol";
122      Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol";
123 <    Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol";
123 >    Stats::units_[INVERSION_POTENTIAL] = "kcal/mol";
124      Stats::units_[VRAW] = "kcal/mol";
125      Stats::units_[VHARM] = "kcal/mol";
126      Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
# Line 149 | Line 153 | namespace oopse {
153      Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL));
154      Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL));
155      Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL));
156 <    Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL));
156 >    Stats::statsMap.insert(StatsMapType::value_type("INVERSION_POTENTIAL", INVERSION_POTENTIAL));
157      Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW));    
158      Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM));    
159      Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX));    

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