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root/OpenMD/trunk/src/brains/Stats.cpp
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Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 998 by chrisfen, Mon Jul 3 13:18:43 2006 UTC vs.
Revision 1313 by gezelter, Wed Oct 22 20:01:49 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_X] = "pressure tensor x";
92 <    Stats::title_[PRESSURE_TENSOR_Y] = "pressure tensor y";
93 <    Stats::title_[PRESSURE_TENSOR_Z] = "pressure tensor z";
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 <
103 >    Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance";
104 >    
105      Stats::units_[TIME] = "fs";
106      Stats::units_[TOTAL_ENERGY] = "kcal/mol";
107      Stats::units_[POTENTIAL_ENERGY] = "kcal/mol";
# Line 100 | Line 109 | namespace oopse {
109      Stats::units_[TEMPERATURE] = "K";
110      Stats::units_[PRESSURE] = "atm";
111      Stats::units_[VOLUME] = "A^3";
112 +    Stats::units_[HULLVOLUME] = "A^3";
113 +    Stats::units_[GYRVOLUME] = "A^3";
114      Stats::units_[CONSERVED_QUANTITY] = "kcal/mol";            
115      Stats::units_[TRANSLATIONAL_KINETIC] = "kcal/mol";
116      Stats::units_[ROTATIONAL_KINETIC] = "kcal/mol";
# Line 110 | Line 121 | namespace oopse {
121      Stats::units_[BOND_POTENTIAL] = "kcal/mol";
122      Stats::units_[BEND_POTENTIAL] = "kcal/mol";
123      Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol";
124 <    Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol";
124 >    Stats::units_[INVERSION_POTENTIAL] = "kcal/mol";
125      Stats::units_[VRAW] = "kcal/mol";
126      Stats::units_[VHARM] = "kcal/mol";
127 <    Stats::units_[PRESSURE_TENSOR_X] = "amu*fs^-2*Ang^-1";
128 <    Stats::units_[PRESSURE_TENSOR_Y] = "amu*fs^-2*Ang^-1";
129 <    Stats::units_[PRESSURE_TENSOR_Z] = "amu*fs^-2*Ang^-1";
127 >    Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
128 >    Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1";
129 >    Stats::units_[PRESSURE_TENSOR_XZ] = "amu*fs^-2*Ang^-1";
130 >    Stats::units_[PRESSURE_TENSOR_YX] = "amu*fs^-2*Ang^-1";
131 >    Stats::units_[PRESSURE_TENSOR_YY] = "amu*fs^-2*Ang^-1";
132 >    Stats::units_[PRESSURE_TENSOR_YZ] = "amu*fs^-2*Ang^-1";
133 >    Stats::units_[PRESSURE_TENSOR_ZX] = "amu*fs^-2*Ang^-1";
134 >    Stats::units_[PRESSURE_TENSOR_ZY] = "amu*fs^-2*Ang^-1";
135 >    Stats::units_[PRESSURE_TENSOR_ZZ] = "amu*fs^-2*Ang^-1";
136      Stats::units_[BOX_DIPOLE_X] = "C*m";
137      Stats::units_[BOX_DIPOLE_Y] = "C*m";
138      Stats::units_[BOX_DIPOLE_Z] = "C*m";
139 +    Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang";
140  
141      Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
142      Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
# Line 127 | Line 145 | namespace oopse {
145      Stats::statsMap.insert(StatsMapType::value_type("TEMPERATURE", TEMPERATURE));
146      Stats::statsMap.insert(StatsMapType::value_type("PRESSURE", PRESSURE));
147      Stats::statsMap.insert(StatsMapType::value_type("VOLUME", VOLUME));
148 +    Stats::statsMap.insert(StatsMapType::value_type("HULLVOLUME", HULLVOLUME));
149 +    Stats::statsMap.insert(StatsMapType::value_type("GYRVOLUME", GYRVOLUME));
150      Stats::statsMap.insert(StatsMapType::value_type("CONSERVED_QUANTITY", CONSERVED_QUANTITY));
151      Stats::statsMap.insert(StatsMapType::value_type("TRANSLATIONAL_KINETIC", TRANSLATIONAL_KINETIC));
152      Stats::statsMap.insert(StatsMapType::value_type("ROTATIONAL_KINETIC", ROTATIONAL_KINETIC));
# Line 137 | Line 157 | namespace oopse {
157      Stats::statsMap.insert(StatsMapType::value_type("BOND_POTENTIAL", BOND_POTENTIAL));
158      Stats::statsMap.insert(StatsMapType::value_type("BEND_POTENTIAL", BEND_POTENTIAL));
159      Stats::statsMap.insert(StatsMapType::value_type("DIHEDRAL_POTENTIAL", DIHEDRAL_POTENTIAL));
160 <    Stats::statsMap.insert(StatsMapType::value_type("IMPROPER_POTENTIAL", IMPROPER_POTENTIAL));
160 >    Stats::statsMap.insert(StatsMapType::value_type("INVERSION_POTENTIAL", INVERSION_POTENTIAL));
161      Stats::statsMap.insert(StatsMapType::value_type("VRAW", VRAW));    
162      Stats::statsMap.insert(StatsMapType::value_type("VHARM", VHARM));    
163 <    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_X", PRESSURE_TENSOR_X));    
164 <    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Y", PRESSURE_TENSOR_Y));    
165 <    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_Z", PRESSURE_TENSOR_Z));    
163 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XX", PRESSURE_TENSOR_XX));    
164 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XY", PRESSURE_TENSOR_XY));    
165 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_XZ", PRESSURE_TENSOR_XZ));    
166 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YX", PRESSURE_TENSOR_YX));    
167 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YY", PRESSURE_TENSOR_YY));    
168 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_YZ", PRESSURE_TENSOR_YZ));    
169 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZX", PRESSURE_TENSOR_ZX));    
170 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZY", PRESSURE_TENSOR_ZY));    
171 >    Stats::statsMap.insert(StatsMapType::value_type("PRESSURE_TENSOR_ZZ", PRESSURE_TENSOR_ZZ));    
172      Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_X", BOX_DIPOLE_X));    
173      Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Y", BOX_DIPOLE_Y));    
174      Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));    
175 +    Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE));    
176    }
177  
178   }

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