SUBROUTINE Constant ! !----------------------------------------------------------------- ! This routine supplies constants and conversion factors. !----------------------------------------------------------------- ! pi 3.14159265358979323846264438327950288...... ! twopi 2*pi ! halfpi pi/2 ! fourthpi pi/4 !----------------------------------------------------------------- ! Conversion factors !----------------------------------------------------------------- ! radtodeg converts radians to degrees ! autoev converts hartrees to electron volts. ! amutoau atomic mass units to atomic units. ! angtoau angstroms to bohr. ! cmm1toau inverse centimeters to atomic units !----------------------------------------------------------------- ! Physical constants (1986 values, Phys. Today, Aug. 1987) !----------------------------------------------------------------- ! avagadro = 6.0221367d+23 molecules/mole ! clight = 2.99792458d+10 cm/sec (defined constant) ! boltzman = 1.380658d-16 ergs/Kelvin !----------------------------------------------------------------- ! prefixes !----------------------------------------------------------------- ! exa = 1.d+18 ! peta = 1.d+15 ! tera = 1.d+12 ! giga = 1.d+9 ! mega = 1.d+6 ! kilo = 1.d+3 ! hecto = 1.d+2 ! deca = 1.d+1 ! deci = 1.d-1 ! centi = 1.d-2 ! milli = 1.d-3 ! micro = 1.d-6 ! nano = 1.d-9 ! pico = 1.d-12 ! femto = 1.d-15 ! atto = 1.d-18 !----------------------------------------------------------------- ! fuzz is a error factor for comparing real numbers !----------------------------------------------------------------- USE Numeric_Kinds_Module USE FileUnits_Module USE PiFactrs_Module USE Fuzzy_Module USE Convrsns_Module USE Constnts_Module USE Prefix_Module USE Time_Conv_Module IMPLICIT NONE REAL(KIND=dp) atan REAL(KIND=dp), PARAMETER:: one=1.0d0 INTRINSIC atan !----------------------------------------------------------------- ! factors involving pi. !----------------------------------------------------------------- fourthpi = ATAN(one) halfpi = 2.d0*fourthpi pi = 4.d0*fourthpi twopi = 8.d0*fourthpi !----------------------------------------------------------------- ! Conversion factors !----------------------------------------------------------------- radtodeg = 45.d0/fourthpi autoev = 27.2113961d0 amutoau = 1822.888506d0 angtoau = 0.529177249d0 cmm1toau = 4.5563352672d-6 !----------------------------------------------------------------- ! Physical constants !----------------------------------------------------------------- avagadro = 6.0221367d+23 clight = 2.99792458d+10 boltzman = 1.380658d-16 hartree = 4.3597482d-18 hbar = 1.05457266d-34 !----------------------------------------------------------------- ! prefixes !----------------------------------------------------------------- exa = 1.d+18 peta = 1.d+15 tera = 1.d+12 giga = 1.d+9 megaf = 1.d+6 kilo = 1.d+3 hecto = 1.d+2 deca = 1.d+1 deci = 1.d-1 centi = 1.d-2 milli = 1.d-3 micro = 1.d-6 nano = 1.d-9 pico = 1.d-12 femto = 1.d-15 atto = 1.d-18 !----------------------------------------------------------------- ! fuzz !----------------------------------------------------------------- fuzz = 1.0d-10 ! ! Time Conversion. Converts from Atomic units to femto-seconds. ! time_conv = hbar/hartree/femto RETURN END SUBROUTINE Constant