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units.cc
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/**
* @file units.cc
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
*
* @date Wed Jul 02 16:25:38 2014
*
* @brief This is the units system of LM
*
* @section LICENSE
*
* Copyright (©) 2010-2011 EPFL (Ecole Polytechnique Fédérale de Lausanne)
* Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
*
* LibMultiScale is free software: you can redistribute it and/or modify it under the
* terms of the GNU Lesser General Public License as published by the Free
* Software Foundation, either version 3 of the License, or (at your option) any
* later version.
*
* LibMultiScale is distributed in the hope that it will be useful, but WITHOUT ANY
* WARRANTY; without even the implied warranty of MERCHANTABILITY or FITNESS FOR
* A PARTICULAR PURPOSE. See the GNU Lesser General Public License for more
* details.
*
* You should have received a copy of the GNU Lesser General Public License
* along with LibMultiScale. If not, see <http://www.gnu.org/licenses/>.
*
*/
#include "lm_common.hh"
#include "units.hh"
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/* -------------------------------------------------------------------------- */
/* -------------------------------------------------------------------------- */
bool UnitSystem::operator == (UnitSystem & s){
if ((this->distance_standard == s.distance_standard ) &&
(this->mass_standard == s.mass_standard ) &&
(this->energy_standard == s.energy_standard ) &&
(this->time_standard == s.time_standard ) &&
(this->pressure_standard == s.pressure_standard ) &&
(this->temperature_standard == s.temperature_standard))
return true;
else return false;
}
/* -------------------------------------------------------------------------- */
bool UnitSystem::operator != (UnitSystem & s){
return !((*this) == s);
}
/* -------------------------------------------------------------------------- */
void UnitSystem::init(){
velocity_standard = distance_standard/time_standard;
acceleration_standard = velocity_standard/time_standard;
force_standard = energy_standard/distance_standard;
surface_standard = distance_standard*distance_standard;
volume_standard = distance_standard*distance_standard*distance_standard;
mass_density_standard = mass_standard/volume_standard;
pressure_standard = force_standard/surface_standard;
mvv2e = (mass_standard*velocity_standard*velocity_standard)/energy_standard;
f_m2v_t = (force_standard/mass_standard)/acceleration_standard;
ft_m2v = (force_standard*time_standard/mass_standard)/velocity_standard;
mv_t2f = (mass_standard*velocity_standard/time_standard)/force_standard;
kT2e = 1/energy_standard;
kT2fd = 1/(force_standard*distance_standard);
m_tt2f_d = (mass_standard/time_standard/time_standard)/(force_standard/distance_standard);
e_dd2m_tt = (energy_standard/distance_standard/distance_standard)/(mass_standard/time_standard/time_standard);
e2fd = energy_standard/(force_standard*distance_standard);
e_m2dd_tt = (energy_standard/mass_standard)/(distance_standard/time_standard)/(distance_standard/time_standard);
fd2e = (force_standard*distance_standard)/energy_standard;
// print();
}
/* -------------------------------------------------------------------------- */
void UnitSystem::print() const {
std::stringstream sstr;
this->printself(sstr);
std::string clown = sstr.str();
DUMP(clown,DBG_MESSAGE);
}
/* -------------------------------------------------------------------------- */
void UnitSystem::printself(std::ostream & stream, int indent) const {
stream << "[d] = " << distance_standard << " meters" << std::endl;
stream << "[m] = " << mass_standard << " Kg" << std::endl;
stream << "[e] = " << energy_standard << " Joules" << std::endl;
stream << "[t] = " << time_standard << " seconds" << std::endl;
stream << "[v] = " << velocity_standard << " meters per seconds" << std::endl;
stream << "[a] = " << acceleration_standard << " meters per seconds^2" << std::endl;
stream << "[f] = " << force_standard << " Newtons" << std::endl;
stream << "[s] = " << surface_standard << " meter^2" << std::endl;
stream << "[V] = " << volume_standard << " meter^3" << std::endl;
stream << "[P] = " << pressure_standard << " Pascals" << std::endl;
stream << "[rho] = " << mass_density_standard << " Kg per meter^3" << std::endl;
stream << "mvv2e = " << mvv2e << std::endl;
stream << "f_m2v_t = " << f_m2v_t << std::endl;
stream << "ft_m2v = " << ft_m2v << std::endl;
stream << "mv_t2f = " << mv_t2f << std::endl;
stream << "kT2e = " << kT2e << std::endl;
stream << "kT2fd = " << kT2fd << std::endl;
stream << "m_tt2f_d = " << m_tt2f_d << std::endl;
stream << "fd2e = " << fd2e << std::endl;
}
/* -------------------------------------------------------------------------- */
UnitSystem setAtomicSystemUnits(){
UnitSystem units;
units.distance_standard = 1e-10;
units.mass_standard = g_mol2Kg;
units.energy_standard = kcal_mol2Joule;
units.time_standard = 1e-15;
units.temperature_standard = 1.;
units.init();
return units;
}
/* -------------------------------------------------------------------------- */
UnitSystem setRealSystemUnits(){
UnitSystem units;
units.distance_standard = 1;
units.mass_standard = 1;
units.energy_standard = 1;
units.time_standard = 1;
units.temperature_standard = 1.;
units.init();
return units;
}
/* -------------------------------------------------------------------------- */
UnitSystem setMetalSystemUnits(){
UnitSystem units;
units.distance_standard = 1e-10;
units.mass_standard = g_mol2Kg;
units.energy_standard = eV2Joule;
units.time_standard = 1e-12;
units.temperature_standard = 1.;
units.init();
return units;
}
/* -------------------------------------------------------------------------- */
UnitSystem atomic_unit_system = setAtomicSystemUnits();
UnitSystem real_unit_system = setRealSystemUnits();
UnitSystem metal_unit_system = setMetalSystemUnits();
UnitSystem code_unit_system = atomic_unit_system;
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__

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