parameters Module Reference

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

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

Detailed Description

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

Variable Documentation

amu2kg

real(dp), parameter parameters::amu2kg = 1.66053892e-27_dp

ang2au

real(dp), parameter parameters::ang2au = 1.0_dp/au2ang

ang2m

real(dp), parameter parameters::ang2m = 1.0_dp/m2ang

au2ang

real(dp), parameter parameters::au2ang = 0.52917725_dp

au2ev

real(dp), parameter parameters::au2ev =1.0_dp/ev2au

au2joules

real(dp), parameter parameters::au2joules = 4.35974417e-18_dp

autemp2k

real(dp), parameter parameters::autemp2k = 3.1577464e5_dp

autime2s

real(dp), parameter parameters::autime2s = 2.418884326505e-17_dp

avog

real(dp), parameter parameters::avog = 6.0221415e23_dp

ev2au

real(dp), parameter parameters::ev2au =0.03674932_dp

eye

complex(dp), parameter parameters::eye =(0.0_dp, 1.0_dp)

fs2s

real(dp), parameter parameters::fs2s = 1.0_dp/s2fs

hbar

real(dp), parameter parameters::hbar =planck/2.0_dp/pi

hz2wvnbr

real(dp), parameter parameters::hz2wvnbr = 1.0_dp/wvnbr2Hz

joules2au

real(dp), parameter parameters::joules2au = 1.0_dp/au2joules

joules2wvnbr

real(dp), parameter parameters::joules2wvnbr = 1.0_dp/planck/light

k2autemp

real(dp), parameter parameters::k2autemp = 1.0_dp/autemp2K

kb

real(dp), parameter parameters::kb =1.3806488e-23_dp

light

real(dp), parameter parameters::light = 2.99792458e10_dp

m2ang

real(dp), parameter parameters::m2ang = 1.e10_dp

pi

real(dp), parameter parameters::pi =4.0_dp*DATAN(1.0_dp)

planck

real(dp), parameter parameters::planck =6.626068e-34_dp

ps2s

real(dp), parameter parameters::ps2s = 1.0_dp/s2ps

s2autime

real(dp), parameter parameters::s2autime = 1.0_dp/autime2s

s2fs

real(dp), parameter parameters::s2fs = 1.0e15_dp

s2ps

real(dp), parameter parameters::s2ps = 1.0e12_dp

wvnbr2hz

real(dp), parameter parameters::wvnbr2hz = light

wvnbr2joules

real(dp), parameter parameters::wvnbr2joules = 1.0_dp/joules2wvnbr