A toy for the energy unit conversion used in quantum chemistry, written in Haskell.
You need to install Glasgow Haskell Compiler (GHC) 9.8.2 (maybe other version is
also OK, but I never tried) and cabal to build the binary. GHC and cabal can
be installed by GHCup.
Then use cabal to build
$ cd uc
$ cabal build
and the binary should be in dist-newstyle/build/x86_64-osx/ghc-x.x.x/uc-x.x.x.x/x/uc/build/uc/uc
> uc --help
Unit conversion toy for quantum chemistry researchers.
Usage: uc QUANTITIES [-f|--fmt FORMAT]
Available options:
QUANTITIES E.g. '1.0eV', '20THz' and '3.14Kcm-1'...
-f,--fmt FORMAT Format the output. Strings like '%10.5q' and '%10.5q'
are available.
-h,--help Show this help text
--version Show version information
Available units: 'eV Cal/mol J/mol K(Kelvin) Ha(Hartree) cm-1 m(meter) Hz'.
Prefixes from 'a'(Atto) to 'E'(Exa) are also available. In order to eliminate
the confusions, the prefixes smaller than unity (from 'a'(Atto,10^-18) to
'm'(Milli,10^-3)) should be lowercased, while the larger prefixes (from
'K'(Kilo,10^3) to 'E'(Exa,10^18)) should be uppercased. For example: '1meV'
means '1 Milli ElectronVolt' while '1MeV' stands for '1 Mega ElectronVolt'
Example:
- Ordinary situation
> uc 3.14eV 50THz 1Kcm-1 650nm
INPUT | ElectronVolt | Calorie/mol | Joule/mol | Temperature | Hartree | Wavenumber | Wavelength | Frequency
------------ | ------------ | ------------ | ------------ | ------------ | ------------ | ------------ | ------------ | ------------
3.140 eV = 3.140 | 72.412K | 302.972K | 36.438K | 115.393m | 25.326K | 394.854n | 759.249T
50.000 THz = 206.783m | 4.769K | 19.952K | 2.400K | 7.599m | 1.668K | 5.996μ | 50.000T
1.000 Kcm-1 = 123.981m | 2.859K | 11.963K | 1.439K | 4.556m | 1.000K | 10.000μ | 29.979T
650.000 nm = 1.907 | 43.988K | 184.046K | 22.135K | 70.097m | 15.385K | 650.000n | 461.219T
- You can also specify the output format
> uc -f "%15.4q" 3.14eV 50THz 1Kcm-1 650nm
INPUT | ElectronVolt | Calorie/mol | Joule/mol | Temperature | Hartree | Wavenumber | Wavelength | Frequency
--------------- | --------------- | --------------- | --------------- | --------------- | --------------- | --------------- | --------------- | ---------------
3.1400 eV = 3.1400 | 72.4121K | 302.9721K | 36.4382K | 115.3928m | 25.3264K | 394.8541n | 759.2486T
50.0000 THz = 206.7834m | 4.7687K | 19.9521K | 2.3996K | 7.5991m | 1.6679K | 5.9958μ | 50.0000T
1.0000 Kcm-1 = 123.9813m | 2.8592K | 11.9627K | 1.4387K | 4.5562m | 1.0000K | 10.0002μ | 29.9786T
650.0000 nm = 1.9074 | 43.9880K | 184.0458K | 22.1350K | 70.0974m | 15.3850K | 650.0000n | 461.2191T
- If you want the unit to be displayed right after the number, just use the alternate sign
#in the format string
> uc -f "%#15.3q" 3.14eV 50THz 1Kcm-1 650nm
INPUT | ElectronVolt | Calorie/mol | Joule/mol | Temperature | Hartree | Wavenumber | Wavelength | Frequency
--------------- | --------------- | --------------- | --------------- | --------------- | --------------- | --------------- | --------------- | ---------------
3.140 eV = 3.140 eV | 72.412 KCal/mol | 302.972 KJ/mol | 36.438 KK | 115.393 mHa | 25.326 Kcm-1 | 394.854 nm | 759.249 THz
50.000 THz = 206.783 meV | 4.769 KCal/mol | 19.952 KJ/mol | 2.400 KK | 7.599 mHa | 1.668 Kcm-1 | 5.996 μm | 50.000 THz
1.000 Kcm-1 = 123.981 meV | 2.859 KCal/mol | 11.963 KJ/mol | 1.439 KK | 4.556 mHa | 1.000 Kcm-1 | 10.000 μm | 29.979 THz
650.000 nm = 1.907 eV | 43.988 KCal/mol | 184.046 KJ/mol | 22.135 KK | 70.097 mHa | 15.385 Kcm-1 | 650.000 nm | 461.219 THz