--- trunk/OOPSE-4/src/brains/Thermo.hpp 2005/03/01 23:17:46 2074 +++ trunk/OOPSE-4/src/brains/Thermo.hpp 2005/04/15 22:04:00 2204 @@ -1,4 +1,4 @@ - /* +/* * Copyright (c) 2005 The University of Notre Dame. All Rights Reserved. * * The University of Notre Dame grants you ("Licensee") a @@ -47,30 +47,30 @@ class Thermo{ namespace oopse { -class Thermo{ + class Thermo{ - public: + public: - Thermo( SimInfo* info) : info_(info) {} + Thermo( SimInfo* info) : info_(info) {} - // note: all the following energies are in kcal/mol + // note: all the following energies are in kcal/mol - double getKinetic(); // the total kinetic energy - double getPotential(); // the total potential energy - double getTotalE(); // gets the total energy + double getKinetic(); // the total kinetic energy + double getPotential(); // the total potential energy + double getTotalE(); // gets the total energy - double getTemperature(); // gives the instant temp. in K + double getTemperature(); // gives the instant temp. in K - double getPressure(); // gives the instant pressure in atm; + double getPressure(); // gives the instant pressure in atm; - Mat3x3d getPressureTensor(); // gives the pressure tensor in amu*fs^-2*Ang^-1 - double getVolume(); // gives the volume in Ang^3 + Mat3x3d getPressureTensor(); // gives the pressure tensor in amu*fs^-2*Ang^-1 + double getVolume(); // gives the volume in Ang^3 - void saveStat(); + void saveStat(); - private: - SimInfo* info_; -}; + private: + SimInfo* info_; + }; } //end namespace oopse #endif