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root/OpenMD/trunk/src/brains/Stats.cpp
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Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 541 by tim, Sun May 22 21:05:15 2005 UTC vs.
Revision 1275 by cli2, Fri Jul 4 20:54:29 2008 UTC

# Line 54 | Line 54 | namespace oopse {
54    bool Stats::isInit_ = false;
55    std::string Stats::title_[Stats::ENDINDEX - Stats::BEGININDEX];
56    std::string Stats::units_[Stats::ENDINDEX - Stats::BEGININDEX];
57 <
57 >  Stats::StatsMapType Stats::statsMap;
58    Stats::Stats() {
59  
60      if (!isInit_) {
# 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";
81      Stats::title_[LONG_RANGE_POTENTIAL] = "Long Range Potential";
82      Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential";
83      Stats::title_[VANDERWAALS_POTENTIAL] = "van der waals Potential";
84 +    Stats::title_[ELECTROSTATIC_POTENTIAL] = "Electrostatic Potential";    
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_X] = "presure tensor x";
92 <    Stats::title_[PRESSURE_TENSOR_Y] = "presure tensor y";
93 <    Stats::title_[PRESSURE_TENSOR_Z] = "presure tensor z";
94 <    
91 >    Stats::title_[PRESSURE_TENSOR_XX] = "P_xx";
92 >    Stats::title_[PRESSURE_TENSOR_XY] = "P_xy";
93 >    Stats::title_[PRESSURE_TENSOR_XZ] = "P_xz";
94 >    Stats::title_[PRESSURE_TENSOR_YX] = "P_yx";
95 >    Stats::title_[PRESSURE_TENSOR_YY] = "P_yy";
96 >    Stats::title_[PRESSURE_TENSOR_YZ] = "P_yz";
97 >    Stats::title_[PRESSURE_TENSOR_ZX] = "P_zx";
98 >    Stats::title_[PRESSURE_TENSOR_ZY] = "P_zy";
99 >    Stats::title_[PRESSURE_TENSOR_ZZ] = "P_zz";
100 >    Stats::title_[BOX_DIPOLE_X] = "box dipole x";
101 >    Stats::title_[BOX_DIPOLE_Y] = "box dipole y";
102 >    Stats::title_[BOX_DIPOLE_Z] = "box dipole z";
103  
104      Stats::units_[TIME] = "fs";
105      Stats::units_[TOTAL_ENERGY] = "kcal/mol";
# Line 97 | 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";
116      Stats::units_[LONG_RANGE_POTENTIAL] = "kcal/mol";
117      Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol";
118      Stats::units_[VANDERWAALS_POTENTIAL] = "kcal/mol";
119 +    Stats::units_[ELECTROSTATIC_POTENTIAL] = "kcal/mol";
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_X] = "amu*fs^-2*Ang^-1";
127 <    Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1";
128 <    Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1";
126 >    Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
127 >    Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1";
128 >    Stats::units_[PRESSURE_TENSOR_XZ] = "amu*fs^-2*Ang^-1";
129 >    Stats::units_[PRESSURE_TENSOR_YX] = "amu*fs^-2*Ang^-1";
130 >    Stats::units_[PRESSURE_TENSOR_YY] = "amu*fs^-2*Ang^-1";
131 >    Stats::units_[PRESSURE_TENSOR_YZ] = "amu*fs^-2*Ang^-1";
132 >    Stats::units_[PRESSURE_TENSOR_ZX] = "amu*fs^-2*Ang^-1";
133 >    Stats::units_[PRESSURE_TENSOR_ZY] = "amu*fs^-2*Ang^-1";
134 >    Stats::units_[PRESSURE_TENSOR_ZZ] = "amu*fs^-2*Ang^-1";
135 >    Stats::units_[BOX_DIPOLE_X] = "C*m";
136 >    Stats::units_[BOX_DIPOLE_Y] = "C*m";
137 >    Stats::units_[BOX_DIPOLE_Z] = "C*m";
138  
139 +    Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
140 +    Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
141 +    Stats::statsMap.insert(StatsMapType::value_type("POTENTIAL_ENERGY", POTENTIAL_ENERGY));
142 +    Stats::statsMap.insert(StatsMapType::value_type("KINETIC_ENERGY", KINETIC_ENERGY));
143 +    Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE));
144 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE));
145 +    Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME));
146 +    Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY));
147 +    Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC));
148 +    Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC));
149 +    Stats::statsMap.insert(StatsMapType::value_type("LONG_RANGE_POTENTIAL", LONG_RANGE_POTENTIAL));
150 +    Stats::statsMap.insert(StatsMapType::value_type("SHORT_RANGE_POTENTIAL", SHORT_RANGE_POTENTIAL));
151 +    Stats::statsMap.insert(StatsMapType::value_type("VANDERWAALS_POTENTIAL", VANDERWAALS_POTENTIAL));
152 +    Stats::statsMap.insert(StatsMapType::value_type("ELECTROSTATIC_POTENTIAL", ELECTROSTATIC_POTENTIAL));
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("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));    
160 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XY", PRESSURE_TENSOR_XY));    
161 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XZ", PRESSURE_TENSOR_XZ));    
162 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YX", PRESSURE_TENSOR_YX));    
163 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YY", PRESSURE_TENSOR_YY));    
164 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YZ", PRESSURE_TENSOR_YZ));    
165 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZX", PRESSURE_TENSOR_ZX));    
166 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZY", PRESSURE_TENSOR_ZY));    
167 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZZ", PRESSURE_TENSOR_ZZ));    
168 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X));    
169 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y));    
170 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));    
171    }
172  
173   }

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