votca 2024.2-dev
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constants.h File Reference
#include <cmath>
#include <boost/math/constants/constants.hpp>
#include "types.h"
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Namespaces

namespace  votca
 base class for all analysis tools
 
namespace  votca::tools
 
namespace  votca::tools::conv
 
namespace  votca::tools::topology_constants
 

Variables

const double votca::tools::conv::Pi = boost::math::constants::pi<double>()
 
const double votca::tools::conv::kB = 8.617332478E-5
 
const double votca::tools::conv::hbar = 6.5821192815E-16
 
const double votca::tools::conv::bohr2nm = 0.052917721092
 
const double votca::tools::conv::nm2bohr = 18.897259886
 
const double votca::tools::conv::ang2bohr = 1.8897259886
 
const double votca::tools::conv::bohr2ang = 1.0 / 1.8897259886
 
const double votca::tools::conv::nm2ang = 10.0
 
const double votca::tools::conv::ang2nm = 0.1
 
const double votca::tools::conv::hrt2ev = 27.21138602
 
const double votca::tools::conv::ev2hrt = 1.0 / 27.21138602
 
const double votca::tools::conv::ev2kj_per_mol = 96.485
 
const double votca::tools::conv::kcal2kj = 4.18679994
 
const double votca::tools::conv::kj2kcal = 1 / kcal2kj
 
const std::string votca::tools::topology_constants::unassigned_element = "unassigned"
 Used to indicate that a valid element variable has not been assigned.
 
const std::string votca::tools::topology_constants::unassigned_bead_type = "unassigned"
 Used to indicate that a valid bead type variable has not been assigned.
 
const std::string votca::tools::topology_constants::unassigned_residue_type = "unassigned"
 Used to indicate that a valid residue type variable has not been assigned.
 
const std::string votca::tools::topology_constants::unassigned_molecule_type = "unassigned"
 Used to indicate that a valid molecule type variable has not been assigned.
 
const Index votca::tools::topology_constants::unassigned_residue_id = -1
 Used to indicate a valid residue id has not been assigned.
 
const Index votca::tools::topology_constants::unassigned_molecule_id = -1
 Used to indicate a valid molecule id has not been assigned.