MQDS  0.0.1
Molecular Quantum Dynamics and Spectroscopy
Modules | Variables
parameters.f90 File Reference

Modules

module  parameters
 Parameters to be used during calculations such as conversion factors, imaginary number, \( \pi \)....
 

Variables

real(dp), parameter parameters::pi =4.0_dp*DATAN(1.0_dp)
 
real(dp), parameter parameters::kb =1.3806488e-23_dp
 
real(dp), parameter parameters::planck =6.626068e-34_dp
 
real(dp), parameter parameters::hbar =planck/2.0_dp/pi
 
real(dp), parameter parameters::avog = 6.0221415e23_dp
 
real(dp), parameter parameters::light = 2.99792458e10_dp
 
real(dp), parameter parameters::joules2wvnbr = 1.0_dp/planck/light
 
real(dp), parameter parameters::wvnbr2joules = 1.0_dp/joules2wvnbr
 
real(dp), parameter parameters::m2ang = 1.e10_dp
 
real(dp), parameter parameters::ang2m = 1.0_dp/m2ang
 
real(dp), parameter parameters::amu2kg = 1.66053892e-27_dp
 
real(dp), parameter parameters::s2ps = 1.0e12_dp
 
real(dp), parameter parameters::ps2s = 1.0_dp/s2ps
 
real(dp), parameter parameters::s2fs = 1.0e15_dp
 
real(dp), parameter parameters::fs2s = 1.0_dp/s2fs
 
real(dp), parameter parameters::wvnbr2hz = light
 
real(dp), parameter parameters::hz2wvnbr = 1.0_dp/wvnbr2Hz
 
real(dp), parameter parameters::au2joules = 4.35974417e-18_dp
 
real(dp), parameter parameters::joules2au = 1.0_dp/au2joules
 
real(dp), parameter parameters::ev2au =0.03674932_dp
 
real(dp), parameter parameters::au2ev =1.0_dp/ev2au
 
real(dp), parameter parameters::autime2s = 2.418884326505e-17_dp
 
real(dp), parameter parameters::s2autime = 1.0_dp/autime2s
 
real(dp), parameter parameters::autemp2k = 3.1577464e5_dp
 
real(dp), parameter parameters::k2autemp = 1.0_dp/autemp2K
 
real(dp), parameter parameters::au2ang = 0.52917725_dp
 
real(dp), parameter parameters::ang2au = 1.0_dp/au2ang
 
complex(dp), parameter parameters::eye =(0.0_dp, 1.0_dp)