/usr/include/physconst.h is in libpsi3-dev 3.4.0-6+b1.
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1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 | /*
** PHYSCONST.H : Includes physical constants
** D. Sherrill, April 1993
** Edward F. Valeev, March 1998
*/
/* revised 5/7/93 to agree w/ 1986 CODATA
* recommended values J. Phys. Chem. Ref. Data 17, 1795 (1988)
* all values revised
*
* revised 4/28/02 to agree with NIST online database
* updated au2amu, hartree2J, hartree2wavenumbers
*
* revised 10/28/02 by TDC to include vacuum permittivity (_e0)
* Avagadro's number (_na).
*
* Added electron rest mass from NIST database 6/27/03.
* -TDC
*/
#ifndef _psi_include_physconst_h_
#define _psi_include_physconst_h_
#define _pi 3.14159265358979323846264338327950288
#define _twopi 6.2831853071795862320E0
#define _h 6.6260755E-34 /* J s */
#define _c 2.99792458E8 /* m s^-1 */
#define _kb 1.380658E-23 /* J K^-1 */
#define _psi3_R 8.314510 /* J K^-1 mol^-1 */
#define _bohr2angstroms 0.529177249
#define _bohr2m 0.529177249E-10
#define _bohr2cm 0.529177249E-8
#define _amu2g 1.6605402E-24
#define _amu2kg 1.6605402E-27
#define _au2amu 5.485799110E-4
#define _hartree2J 4.35974381E-18
#define _cal2J 4.184
#define _dipmom_au2si 8.47835791E-30
#define _dipmom_au2debye 2.54175
#define _dipmom_debye2si 3.33564E-30
#define _c_au 137.0359895
#define _hartree2ev 27.211396
#define _hartree2wavenumbers 219474.6313710
#define _e0 8.854187816E-12 /* vacuum permittivity */
#define _na 6.022136736E23 /* Avagadro's number */
#define _me 9.10938188E-31 /* electron rest mass */
/* For Cray X1 compilers */
#ifndef M_PI
#define M_PI 3.14159265358979323846
#endif
#endif /* header guard */
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