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/* |
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* Copyright (C) 2000-2004 Object Oriented Parallel Simulation Engine (OOPSE) project |
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* |
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* Contact: oopse@oopse.org |
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* |
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* This program is free software; you can redistribute it and/or |
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* modify it under the terms of the GNU Lesser General Public License |
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* as published by the Free Software Foundation; either version 2.1 |
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* of the License, or (at your option) any later version. |
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* All we ask is that proper credit is given for our work, which includes |
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* - but is not limited to - adding the above copyright notice to the beginning |
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* of your source code files, and to any copyright notice that you may distribute |
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* with programs based on this work. |
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* |
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* This program is distributed in the hope that it will be useful, |
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* but WITHOUT ANY WARRANTY; without even the implied warranty of |
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* MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the |
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* GNU Lesser General Public License for more details. |
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* |
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* You should have received a copy of the GNU Lesser General Public License |
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* along with this program; if not, write to the Free Software |
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* Foundation, Inc., 59 Temple Place - Suite 330, Boston, MA 02111-1307, USA. |
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* |
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*/ |
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|
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/** |
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* @file Stats.cpp |
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* @author tlin |
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* @date 11/04/2004 |
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* @time 14:26am |
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* @version 1.0 |
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*/ |
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|
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#include "brains/Stats.hpp" |
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|
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namespace oopse { |
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|
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bool Stats::isInit_ = false; |
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|
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Stats::Stats() { |
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|
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if (!isInit_) { |
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init(); |
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isInit_ = true; |
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} |
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|
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} |
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|
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void Stats::init() { |
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|
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Stats::title_[TIME] = "Time"; |
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Stats::title_[TOTAL_ENERGY] = "Total Energy"; |
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Stats::title_[POTENTIAL_ENERGY] = "Potential Energy"; |
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Stats::title_[KINETIC_ENERGY] = "Kinetic Energy"; |
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Stats::title_[TEMPERATURE] = "Temperature"; |
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Stats::title_[PRESSURE] = "Pressure"; |
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Stats::title_[VOLUME] = "Volume"; |
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Stats::title_[CONSERVED_QUANTITY] = "Conserved Quantity"; |
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Stats::title_[TRANSLATIONAL_KINETIC] = "Translational Kinetic"; |
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Stats::title_[ROTATIONAL_KINETIC] = "Rotational Kinetic"; |
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Stats::title_[LONG_RANGE_POTENTIAL] = "Long Range Potential"; |
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Stats::title_[SHORT_RANGE_POTENTIAL] = "Short Range Potential"; |
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Stats::title_[VANDERWAALS_POTENTIAL] = "van der waals Potential"; |
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Stats::title_[BOND_POTENTIAL] = "Bond Potential"; |
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Stats::title_[BEND_POTENTIAL] = "Bend Potential"; |
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Stats::title_[DIHEDRAL_POTENTIAL] = "Dihedral Potential"; |
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Stats::title_[IMPROPER_POTENTIAL] = "Improper Potential"; |
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Stats::title_[VRAW] = "Raw Potential"; |
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Stats::title_[VHARM] = "Harmonic Potential"; |
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|
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Stats::units_[TIME] = "fs"; |
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Stats::units_[TOTAL_ENERGY] = "kcal/mol"; |
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Stats::units_[POTENTIAL_ENERGY] = "kcal/mol"; |
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Stats::units_[KINETIC_ENERGY] = "kcal/mol"; |
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Stats::units_[TEMPERATURE] = "K"; |
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Stats::units_[PRESSURE] = "atm"; |
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Stats::units_[VOLUME] = "A^3"; |
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Stats::units_[CONSERVED_QUANTITY] = "kcal/mol"; |
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Stats::units_[TRANSLATIONAL_KINETIC] = "kcal/mol"; |
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Stats::units_[ROTATIONAL_KINETIC] = "kcal/mol"; |
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Stats::units_[LONG_RANGE_POTENTIAL] = "kcal/mol"; |
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Stats::units_[SHORT_RANGE_POTENTIAL] = "kcal/mol"; |
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Stats::units_[VANDERWAALS_POTENTIAL] = "kcal/mol"; |
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Stats::units_[BOND_POTENTIAL] = "kcal/mol"; |
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Stats::units_[BEND_POTENTIAL] = "kcal/mol"; |
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Stats::units_[DIHEDRAL_POTENTIAL] = "kcal/mol"; |
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Stats::units_[IMPROPER_POTENTIAL] = "kcal/mol"; |
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Stats::units_[VRAW] = "kcal/mol"; |
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Stats::units_[VHARM] = "kcal/mol"; |
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} |
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|
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} |
