symbol_values.h

// -*-c++-*-
#ifndef STORMM_SYMBOLS_H
#define STORMM_SYMBOLS_H
 
#include "copyright.h"
 
namespace stormm {
namespace symbols {

constexpr double pi = 3.141592653589793115997963468544185161590576171875;
constexpr double twopi = 2.0 * pi;
constexpr double inverse_pi = 1.0 / pi;
constexpr double inverse_twopi = 1.0 / twopi;
constexpr float pi_f = 3.1415927410125732421875f;
constexpr float twopi_f = 6.283185482025146484375f;
constexpr float inverse_pi_f = 0.3183098733425140380859375f;
constexpr float inverse_twopi_f = 0.15915493667125701904296875f;

constexpr double evalue = 2.718281828459045090795598298427648842334747314453125;
constexpr float evalue_f = evalue;
  
constexpr double tetrahedral_angle = 1.91063323624901859610;

constexpr double amber_ancient_bioq  = 332.0522172900000;
constexpr double charmm_gromacs_bioq = 332.0636974382250;

constexpr double gafs_to_kcal  = 1.0 / 0.0004184;
constexpr float gafs_to_kcal_f = gafs_to_kcal;
constexpr double kcal_to_gafs = 0.0004184;
constexpr float kcal_to_gafs_f = kcal_to_gafs;
  
constexpr double avogadro_number = 6.02214076e+23;
  
constexpr double boltzmann_constant = (1.38064852e-23) / 4184.0 * avogadro_number;
constexpr double boltzmann_constant_gafs = boltzmann_constant * kcal_to_gafs;
constexpr float boltzmann_constant_f = boltzmann_constant;
constexpr float boltzmann_constant_gafs_f = boltzmann_constant_gafs;
  
constexpr double hartree_to_kcal = 627.509474;

constexpr double bohr_to_angstrom = 0.529177210903;

constexpr double angstrom_to_bohr = 1.889726124626;

constexpr double asymptotic_to_one_lf = 0.99999904632568359375;
constexpr float  asymptotic_to_one_f  = (float)asymptotic_to_one_lf;
constexpr float  near_to_one_f        = 0.99993896484375f;
constexpr float  near_to_one_lf       = 0.999999992549419403076171875;

constexpr double inverse_one_minus_asymptote_lf = 1048576.0;
constexpr float  inverse_one_minus_asymptote_f = (float)1048576.0;
 
} // namespace constants
} // namespace stormm
 
// Put common symbols in the stormm namespace
namespace stormm {
using symbols::pi;
using symbols::twopi;
using symbols::inverse_pi;
using symbols::inverse_twopi;
using symbols::pi_f;
using symbols::twopi_f;
using symbols::inverse_pi_f;
using symbols::inverse_twopi_f;
using symbols::evalue;
using symbols::evalue_f;
} // namespace stormm
 
#endif