MOLSCAT, BOUND and FIELD

This dataset provides files for the packages MOLSCAT, BOUND and FIELD, which are referenced in the following CPC 50th Anniversary articles:

MOLSCAT: A program for non-reactive quantum scattering calculations on atomic and molecular collisions - https://doi.org/10.1016/j.cpc.2019.02.014
BOUND and FIELD: Programs for calculating bound states of interacting pairs of atoms and molecules - https://doi.org/10.1016/j.cpc.2019.02.017

This dataset contains:-

1) Full documentation for the programs MOLSCAT, BOUND and FIELD in pdf form;

2) A directory source_code containing

a) the Fortran source code;

b) a GNUmakefile that can build the executables needed for the example calculations described in the documentation;

c) a sub-directory input containing input files for the example calculations described in the documentation;

d) a sub-directory output containing the corresponding output files;

4) A directory data containing auxiliary data files for some potential routines used in the example calculations;

5) A plain-text file README that gives information on changes that may be needed to adapt the GNUmakefile to a specific target computer.