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root/OpenMD/trunk/src/brains/Stats.cpp

Comparing trunk/src/brains/Stats.cpp (file contents):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1638 by chuckv, Fri Sep 23 20:52:24 2011 UTC

#	Line 1 | Line 1
1		/*
2	<	* Copyright (c) 2005 The University of Notre Dame. All Rights Reserved.
2	>	* Copyright (c) 2005, 2009 The University of Notre Dame. All Rights Reserved.
3		*
4		* The University of Notre Dame grants you ("Licensee") a
5		* non-exclusive, royalty free, license to use, modify and
#	Line 88 | Line 88 | namespace OpenMD {
88		Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential";
89		Stats::title_[VRAW] = "Raw Potential";
90		Stats::title_[VHARM] = "Harmonic Potential";
91	+	Stats::title_[SHADOWH] = "Shadow Hamiltonian";
92		Stats::title_[PRESSURE_TENSOR_XX] = "P_xx";
93		Stats::title_[PRESSURE_TENSOR_XY] = "P_xy";
94		Stats::title_[PRESSURE_TENSOR_XZ] = "P_xz";
#	Line 102 | Line 103 | namespace OpenMD {
103		Stats::title_[BOX_DIPOLE_Z] = "box dipole z";
104		Stats::title_[TAGGED_PAIR_DISTANCE] = "Tagged_Pair_Distance";
105		Stats::title_[RNEMD_EXCHANGE_TOTAL] = "RNEMD_exchange_total";
106	+	Stats::title_[THERMAL_HELFANDMOMENT_X] = "Thermal Helfand Moment x";
107	+	Stats::title_[THERMAL_HELFANDMOMENT_Y] = "Thermal Helfand Moment y";
108	+	Stats::title_[THERMAL_HELFANDMOMENT_Z] = "Thermal Helfand Moment z";
109
110		Stats::units_[TIME] = "fs";
111		Stats::units_[TOTAL_ENERGY] = "kcal/mol";
#	Line 125 | Line 129 | namespace OpenMD {
129		Stats::units_[INVERSION_POTENTIAL] = "kcal/mol";
130		Stats::units_[VRAW] = "kcal/mol";
131		Stats::units_[VHARM] = "kcal/mol";
132	+	Stats::units_[SHADOWH] = "kcal/mol";
133		Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
134		Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1";
135		Stats::units_[PRESSURE_TENSOR_XZ] = "amu*fs^-2*Ang^-1";
#	Line 139 | Line 144 | namespace OpenMD {
144		Stats::units_[BOX_DIPOLE_Z] = "C*m";
145		Stats::units_[TAGGED_PAIR_DISTANCE] = "Ang";
146		Stats::units_[RNEMD_EXCHANGE_TOTAL] = "Variable";
147	+	Stats::units_[THERMAL_HELFANDMOMENT_X] = "Ang*kcal/mol";
148	+	Stats::units_[THERMAL_HELFANDMOMENT_Y] = "Ang*kcal/mol";
149	+	Stats::units_[THERMAL_HELFANDMOMENT_Z] = "Ang*kcal/mol";
150
151		Stats::statsMap.insert(StatsMapType::value_type("TIME", TIME));
152		Stats::statsMap.insert(StatsMapType::value_type("TOTAL_ENERGY", TOTAL_ENERGY));
#	Line 176 | Line 184 | namespace OpenMD {
184		Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));
185		Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE));
186		Stats::statsMap.insert(StatsMapType::value_type("RNEMD_EXCHANGE_TOTAL", RNEMD_EXCHANGE_TOTAL));
187	+	Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH));
188	+	Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_X",THERMAL_HELFANDMOMENT_X));
189	+	Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Y",THERMAL_HELFANDMOMENT_Y));
190	+	Stats::statsMap.insert(StatsMapType::value_type("THERMAL_HELFANDMOMENT_Z",THERMAL_HELFANDMOMENT_Z));
191		}
192
193		}

Comparing trunk/src/brains/Stats.cpp (property svn:keywords):
Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
Revision 1638 by chuckv, Fri Sep 23 20:52:24 2011 UTC

#	Line 0 | Line 1
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