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root/OpenMD/branches/development/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.
branches/development/src/brains/Stats.cpp (file contents), Revision 1665 by gezelter, Tue Nov 22 20:38:56 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 36 | Line 36
36		* [1]  Meineke, et al., J. Comp. Chem. 26, 252-271 (2005).
37		* [2]  Fennell & Gezelter, J. Chem. Phys. 124, 234104 (2006).
38		* [3]  Sun, Lin & Gezelter, J. Chem. Phys. 128, 24107 (2008).
39	<	* [4]  Vardeman & Gezelter, in progress (2009).
39	>	* [4]  Kuang & Gezelter,  J. Chem. Phys. 133, 164101 (2010).
40	>	* [5]  Vardeman, Stocker & Gezelter, J. Chem. Theory Comput. 7, 834 (2011).
41		*/
42
43		/**
#	Line 88 | Line 89 | namespace OpenMD {
89		Stats::title_[INVERSION_POTENTIAL] = "Inversion Potential";
90		Stats::title_[VRAW] = "Raw Potential";
91		Stats::title_[VHARM] = "Harmonic Potential";
92	+	Stats::title_[SHADOWH] = "Shadow Hamiltonian";
93		Stats::title_[PRESSURE_TENSOR_XX] = "P_xx";
94		Stats::title_[PRESSURE_TENSOR_XY] = "P_xy";
95		Stats::title_[PRESSURE_TENSOR_XZ] = "P_xz";
#	Line 125 | Line 127 | namespace OpenMD {
127		Stats::units_[INVERSION_POTENTIAL] = "kcal/mol";
128		Stats::units_[VRAW] = "kcal/mol";
129		Stats::units_[VHARM] = "kcal/mol";
130	+	Stats::units_[SHADOWH] = "kcal/mol";
131		Stats::units_[PRESSURE_TENSOR_XX] = "amu*fs^-2*Ang^-1";
132		Stats::units_[PRESSURE_TENSOR_XY] = "amu*fs^-2*Ang^-1";
133		Stats::units_[PRESSURE_TENSOR_XZ] = "amu*fs^-2*Ang^-1";
#	Line 176 | Line 179 | namespace OpenMD {
179		Stats::statsMap.insert(StatsMapType::value_type("BOX_DIPOLE_Z", BOX_DIPOLE_Z));
180		Stats::statsMap.insert(StatsMapType::value_type("TAGGED_PAIR_DISTANCE", TAGGED_PAIR_DISTANCE));
181		Stats::statsMap.insert(StatsMapType::value_type("RNEMD_EXCHANGE_TOTAL", RNEMD_EXCHANGE_TOTAL));
182	+	Stats::statsMap.insert(StatsMapType::value_type("SHADOWH", SHADOWH));
183		}
184
185		}

Comparing:
trunk/src/brains/Stats.cpp (property svn:keywords), Revision 1390 by gezelter, Wed Nov 25 20:02:06 2009 UTC vs.
branches/development/src/brains/Stats.cpp (property svn:keywords), Revision 1665 by gezelter, Tue Nov 22 20:38:56 2011 UTC

#	Line 0 | Line 1
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