Psi4
Macros
include/psi4/physconst.h File Reference

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Macros

#define pc_pi   3.14159265358979323846264338327950288
 
#define pc_twopi   6.2831853071795862320E0
 
#define pc_h   6.62606896E-34 /*- The Planck constant (Js) -*/
 
#define pc_c   2.99792458E8 /*- Speed of light (ms$^{-1}$) -*/
 
#define pc_kb   1.3806504E-23 /*- The Boltzmann constant (JK$^{-1}$) -*/
 
#define pc_R   8.314472 /*- Universal gas constant (JK$^{-1}$mol$^{-1}$) -*/
 
#define pc_bohr2angstroms   0.52917720859 /*- Bohr to Angstroms conversion factor -*/
 
#define pc_bohr2m   0.52917720859E-10 /*- Bohr to meters conversion factor -*/
 
#define pc_bohr2cm   0.52917720859E-8 /*- Bohr to centimeters conversion factor -*/
 
#define pc_amu2g   1.660538782E-24 /*- Atomic mass units to grams conversion factor -*/
 
#define pc_amu2kg   1.660538782E-27 /*- Atomic mass units to kg conversion factor -*/
 
#define pc_au2amu   5.485799097E-4 /*- Atomic units (m$@@e$) to atomic mass units conversion factor -*/
 
#define pc_hartree2J   4.359744E-18 /*- Hartree to joule conversion factor -*/
 
#define pc_hartree2aJ   4.359744 /*- Hartree to attojoule (10$^{-18}$J) conversion factor -*/
 
#define pc_cal2J   4.184 /*- Calorie to joule conversion factor -*/
 
#define pc_dipmom_au2si   8.47835281E-30 /*- Atomic units to SI units (Cm) conversion factor for dipoles -*/
 
#define pc_dipmom_au2debye   2.54174623 /*- Atomic units to Debye conversion factor for dipoles -*/
 
#define pc_dipmom_debye2si   3.335640952E-30 /*- Debye to SI units (Cm) conversion factor for dipoles -*/
 
#define pc_c_au   137.035999679 /*- Speed of light in atomic units -*/
 
#define pc_hartree2ev   27.21138 /*- Hartree to eV conversion factor -*/
 
#define pc_hartree2wavenumbers   219474.6 /*- Hartree to cm$^{-1}$ conversion factor -*/
 
#define pc_hartree2kcalmol   627.5095 /*- Hartree to kcal mol$^{-1}$ conversion factor -*/
 
#define pc_hartree2kJmol   2625.500 /*- Hartree to kilojoule mol$^{-1}$ conversion factor -*/
 
#define pc_hartree2MHz   6.579684E9 /*- Hartree to MHz conversion factor -*/
 
#define pc_kcalmol2wavenumbers   349.7551 /*- kcal mol$^{-1}$ to cm$^{-1}$ conversion factor -*/
 
#define pc_e0   8.854187817E-12 /*- Vacuum permittivity (Fm$^{-1}$)-*/
 
#define pc_na   6.02214179E23 /*- Avagadro's number -*/
 
#define pc_me   9.10938215E-31 /*- Electron rest mass (in kg)-*/
 
#define M_PI   3.14159265358979323846
 

Macro Definition Documentation

#define M_PI   3.14159265358979323846
#define pc_amu2g   1.660538782E-24 /*- Atomic mass units to grams conversion factor -*/
#define pc_amu2kg   1.660538782E-27 /*- Atomic mass units to kg conversion factor -*/
#define pc_au2amu   5.485799097E-4 /*- Atomic units (m$@@e$) to atomic mass units conversion factor -*/
#define pc_bohr2angstroms   0.52917720859 /*- Bohr to Angstroms conversion factor -*/
#define pc_bohr2cm   0.52917720859E-8 /*- Bohr to centimeters conversion factor -*/
#define pc_bohr2m   0.52917720859E-10 /*- Bohr to meters conversion factor -*/
#define pc_c   2.99792458E8 /*- Speed of light (ms$^{-1}$) -*/
#define pc_c_au   137.035999679 /*- Speed of light in atomic units -*/
#define pc_cal2J   4.184 /*- Calorie to joule conversion factor -*/
#define pc_dipmom_au2debye   2.54174623 /*- Atomic units to Debye conversion factor for dipoles -*/
#define pc_dipmom_au2si   8.47835281E-30 /*- Atomic units to SI units (Cm) conversion factor for dipoles -*/
#define pc_dipmom_debye2si   3.335640952E-30 /*- Debye to SI units (Cm) conversion factor for dipoles -*/
#define pc_e0   8.854187817E-12 /*- Vacuum permittivity (Fm$^{-1}$)-*/
#define pc_h   6.62606896E-34 /*- The Planck constant (Js) -*/
#define pc_hartree2aJ   4.359744 /*- Hartree to attojoule (10$^{-18}$J) conversion factor -*/
#define pc_hartree2ev   27.21138 /*- Hartree to eV conversion factor -*/
#define pc_hartree2J   4.359744E-18 /*- Hartree to joule conversion factor -*/
#define pc_hartree2kcalmol   627.5095 /*- Hartree to kcal mol$^{-1}$ conversion factor -*/
#define pc_hartree2kJmol   2625.500 /*- Hartree to kilojoule mol$^{-1}$ conversion factor -*/
#define pc_hartree2MHz   6.579684E9 /*- Hartree to MHz conversion factor -*/
#define pc_hartree2wavenumbers   219474.6 /*- Hartree to cm$^{-1}$ conversion factor -*/
#define pc_kb   1.3806504E-23 /*- The Boltzmann constant (JK$^{-1}$) -*/
#define pc_kcalmol2wavenumbers   349.7551 /*- kcal mol$^{-1}$ to cm$^{-1}$ conversion factor -*/
#define pc_me   9.10938215E-31 /*- Electron rest mass (in kg)-*/
#define pc_na   6.02214179E23 /*- Avagadro's number -*/
#define pc_pi   3.14159265358979323846264338327950288
#define pc_R   8.314472 /*- Universal gas constant (JK$^{-1}$mol$^{-1}$) -*/
#define pc_twopi   6.2831853071795862320E0