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root/OpenMD/branches/development/src/brains/Stats.cpp
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Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 507 by gezelter, Fri Apr 15 22:04:00 2005 UTC vs.
Revision 998 by chrisfen, Mon Jul 3 13:18:43 2006 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 79 | Line 79 | namespace oopse {
79      Stats::title_[LONG_RANGE_POTENTIAL] = "Long Range Potential";
80      Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential";
81      Stats::title_[VANDERWAALS_POTENTIAL] = "van der waals Potential";
82 +    Stats::title_[ELECTROSTATIC_POTENTIAL] = "Electrostatic Potential";    
83      Stats::title_[BOND_POTENTIAL] = "Bond Potential";
84      Stats::title_[BEND_POTENTIAL] = "Bend Potential";
85      Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential";
86      Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential";
87      Stats::title_[VRAW] = "Raw Potential";
88      Stats::title_[VHARM] = "Harmonic Potential";
89 +    Stats::title_[PRESSURE_TENSOR_X] = "pressure tensor x";
90 +    Stats::title_[PRESSURE_TENSOR_Y] = "pressure tensor y";
91 +    Stats::title_[PRESSURE_TENSOR_Z] = "pressure tensor z";
92 +    Stats::title_[BOX_DIPOLE_X] = "box dipole x";
93 +    Stats::title_[BOX_DIPOLE_Y] = "box dipole y";
94 +    Stats::title_[BOX_DIPOLE_Z] = "box dipole z";
95  
96      Stats::units_[TIME] = "fs";
97      Stats::units_[TOTAL_ENERGY] = "kcal/mol";
# Line 99 | Line 106 | namespace oopse {
106      Stats::units_[LONG_RANGE_POTENTIAL] = "kcal/mol";
107      Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol";
108      Stats::units_[VANDERWAALS_POTENTIAL] = "kcal/mol";
109 +    Stats::units_[ELECTROSTATIC_POTENTIAL] = "kcal/mol";
110      Stats::units_[BOND_POTENTIAL] = "kcal/mol";
111      Stats::units_[BEND_POTENTIAL] = "kcal/mol";
112      Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol";
113      Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol";
114      Stats::units_[VRAW] = "kcal/mol";
115      Stats::units_[VHARM] = "kcal/mol";
116 +    Stats::units_[PRESSURE_TENSOR_X] = "amu*fs^-2*Ang^-1";
117 +    Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1";
118 +    Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1";
119 +    Stats::units_[BOX_DIPOLE_X] = "C*m";
120 +    Stats::units_[BOX_DIPOLE_Y] = "C*m";
121 +    Stats::units_[BOX_DIPOLE_Z] = "C*m";
122 +
123 +    Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
124 +    Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
125 +    Stats::statsMap.insert(StatsMapType::value_type("POTENTIAL_ENERGY", POTENTIAL_ENERGY));
126 +    Stats::statsMap.insert(StatsMapType::value_type("KINETIC_ENERGY", KINETIC_ENERGY));
127 +    Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE));
128 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE));
129 +    Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME));
130 +    Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY));
131 +    Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC));
132 +    Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC));
133 +    Stats::statsMap.insert(StatsMapType::value_type("LONG_RANGE_POTENTIAL", LONG_RANGE_POTENTIAL));
134 +    Stats::statsMap.insert(StatsMapType::value_type("SHORT_RANGE_POTENTIAL", SHORT_RANGE_POTENTIAL));
135 +    Stats::statsMap.insert(StatsMapType::value_type("VANDERWAALS_POTENTIAL", VANDERWAALS_POTENTIAL));
136 +    Stats::statsMap.insert(StatsMapType::value_type("ELECTROSTATIC_POTENTIAL", ELECTROSTATIC_POTENTIAL));
137 +    Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL));
138 +    Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL));
139 +    Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL));
140 +    Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL));
141 +    Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW));    
142 +    Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM));    
143 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_X", PRESSURE_TENSOR_X));    
144 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Y", PRESSURE_TENSOR_Y));    
145 +    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Z", PRESSURE_TENSOR_Z));    
146 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X));    
147 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y));    
148 +    Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));    
149    }
150  
151   }

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