ciaaw

NAME

ciaaw - library for isotopic abundances and standard atomic weights

LIBRARY

ciaaw library (libciaaw, -lciaaw)

SYNOPSIS

DESCRIPTION

ciaaw is a Fortran library providing the standard and abridged atomic weights, the isotopic abundance and the isotopes’ standard atomic weights:

The data are taken from http://ciaaw.org. C API allows usage from C, or can be used as a basis for other wrappers. Python wrapper allows easy usage from Python.

The latest standard atomic weights were released in 2021 by the ciaaw (https://www.ciaaw.org). All the values for the atomic weights are provided as double precision reals. The standard atomic weights (or realtive atomic mass), A_r(E), are extracted from table 1 from Prohaska et al. (IUPAC Technical Report 94(5):573–600). For the elements that feature an interval for the standard atomic weight, the mean value and the uncertainty are computed using formulas defined in IUPAC Technical Report 93(5):629–646. The standard atomic weights are a dimensionless quantity and thus they need to be multiplied by the molar mass constant Mu in order to get the value in g.mol-1. See codata for physical constants.

The latest isotopic compositions were released in 2013 by the ciaaw (https://www.ciaaw.org). All the values for the compositions are provided as double precision reals. The isotopic compositions of the element, are extracted from table 1 from Meija et al. (IUPAC Technical Report. 88(3):293–306).

The latest atomic weights for nuclides were released in 2020 by ciaaw https://www.ciaaw.org from Huang et al. (AME 2020 45(3):030002). All the values for the nuclide atomic weights are provided as double precision reals.

NOTES

To use ciaaw within your fpm project, add the following to your fpm.toml file:
[dependencies]
iapws = { git="https://github.com/MilanSkocic/ciaaw.git" }

dp stands for double precision and it is an alias to real64 from the iso_fortran_env module. The definitions of the acronyms:

The definitions of the abbreviations:

References

EXAMPLES

Example in Fortran:
! EXAMPLE IN FORTRAN
program example_in_f
use ciaaw, only: saw, ice, naw, nice, nnaw, version
implicit none(type,external)
print *, "version ", version()

print ’(A)’, ’########### CIAAW SAW ##########’
print ’(A10, F10.5)’, ’ASAW H = ’, saw("H", ab=.true.)
print ’(A10, F10.5)’, ’U ASAW H = ’, saw("H", u=.true.)
print ’(A10, F10.5)’, ’SAW H = ’, saw("H", ab=.false.)
print ’(A10, F10.5)’, ’U SAW H = ’, saw("H", ab=.false., u=.true.)
print ’(A10, F10.5)’, ’ASAW T = ’, saw("Tc", ab=.true.)

print ’(A)’, ’########### CIAAW ICE ##########’
print ’(A, I3)’, ’N ICE H = ’, nice("H")
print ’(A, F12.6)’, ’ICE H 1 = ’, ice("H", A=1)
print ’(A, ES23.16)’, ’U ICE H 1 = ’, ice("H", A=1, u=.true.)
print ’(A, F12.6)’, ’ICE H 2 = ’, ice("H", A=2)
print ’(A, ES23.16)’, ’U ICE H 2 = ’, ice("H", A=2, u=.true.)
print ’(A, I3)’, ’N ICE Tc = ’, nice("Tc")
print ’(A, I3)’, ’N ICE C = ’, nice("C")

print ’(A)’, ’########### CIAAW NAW ##########’
print ’(A, ES23.16)’, ’NAW H 2 = ’, naw("H", A=2)
print ’(A, ES23.16)’, ’U NAW H 2 = ’, naw("H", A=2, u=.true.)
print ’(A, I3)’, ’N NAW Tc = ’, nnaw("Tc")

end program example_in_f

Example in C
/* EXAMPLE IN C */
#include <stdlib.h>
#include <stdio.h>
#include <string.h>
#include <stdbool.h>
#include "ciaaw.h"

int main(void){
printf("%s0, "########## CIAAW VERSION ##########");
printf("version %s0, ciaaw_version());

printf("%s0, "########## CIAAW SAW ##########");
printf("%s %10.5f0, "ASAW H = ", ciaaw_saw("H", 1, true, false));
printf("%s %10.5f0, "U ASAW H = ", ciaaw_saw("H", 1, true, true));
printf("%s %10.5f0, "SAW H = ", ciaaw_saw("H", 1, false, false));
printf("%s %10.5f0, "U SAW H = ", ciaaw_saw("H", 1, false, true));
printf("%s %10.5f0, "ASAW Tc = ", ciaaw_saw("Tc", 2, true, false));

printf("%s0, "########## CIAAW ICE ##########");
printf("%s %d0, "N ICE H = ", ciaaw_nice("H", 1));
printf("%s %12.6f0, "ICE H 1 = ", ciaaw_ice("H", 1, 1, false));
printf("%s %23.16e0,"U ICE H 1 = ", ciaaw_ice("H", 1, 1, true));
printf("%s %12.6f0, "ICE H 2 = ", ciaaw_ice("H", 1, 2, false));
printf("%s %23.16e0,"U ICE H 2 = ", ciaaw_ice("H", 1, 2, true));
printf("%s %d0, "N ICE Tc = ", ciaaw_nice("Tc", 2));
printf("%s %d0, "N ICE C = ", ciaaw_nice("C", 1));

printf("%s0, "########## CIAAW NAW ##########");
printf("%s %23.16f0, "NAW H 2 = ", ciaaw_naw("H", 1, 2, false));
printf("%s %23.16e0, "U NAW H 2 = ", ciaaw_naw("H", 1, 2, true));
printf("%s %d0, "N NAW Tc = ", ciaaw_nnaw("Tc", 2));
return EXIT_SUCCESS;
}

Example in Python
#!/usr/bin/env python
r"""EXAMPLE IN PYTHON"""
import sys
sys.path.insert(0, "../py/src/")
import pyciaaw

print("########## CIAAW VERSION ##########")
print("version ", pyciaaw.__version__)

print("########## CIAAW SAW ##########")
print("ASAW H = ", pyciaaw.saw("H"))
print("U ASAW H = ", pyciaaw.saw("H", u=True))
print("SAW H = ", pyciaaw.saw("H", ab=False, u=False))
print("U SAW H = ", pyciaaw.saw("H", ab=False, u=True))
print("ASAW Tc = ", pyciaaw.saw("Tc"))

print("########## CIAAW ICE ##########")
print("N ICE H = ", pyciaaw.nice("H"))
print(’ICE H 1 = ’, pyciaaw.ice("H", A=1))
print(’U ICE H 1 = ’, pyciaaw.ice("H", A=1, u=True))
print(’ICE H 2 = ’, pyciaaw.ice("H", A=2))
print(’U ICE H 2 = ’, pyciaaw.ice("H", A=2, u=True))
print("N ICE Tc = ", pyciaaw.nice("Tc"))
print("N ICE C = ", pyciaaw.nice("C"))

print("########## CIAAW NAW ##########")
print(’NAW H 2 = ’, pyciaaw.naw("H", A=2))
print(’U NAW H 2 = ’, pyciaaw.naw("H", A=2, u=True))
print("N NAW Tc = ", pyciaaw.nnaw("Tc"))

SEE ALSO

ciaaw(3), ciaaw_cli(1), ciaaw_version(3), ciaaw_saw(3), ciaaw_ice(3), ciaaw_nice(3), ciaaw_naw(3), ciaaw_nnaw(3)