Minor adjustments made to v1.0.0 during JOSS review process. Overall functionality remains similar to v1.0.0, but with a couple of small bug-fixes and improved tests.

Refactoring of Wang-Landau by H. J. Naguszewski complete. Updates made to command_line.f90 by H. Ratcliffe.

Two main changes in this release:

1. Carrying through of basis index in Hamiltonian evaluation. (Will be needed for more complex crystal structures.)
2. Restructuring of input file formats and internal derived types. Parameters solely used in Metropolis Monte Carlo simulations now live in their own derived types and are read in from a separate input file.

Contains Wang-Landau sampling and TMMC capabilities, as implemented by HJN (U. Warwick)

Minor bug-fixes

Inclusion of Nested Sampling algorithm as implemented by Livia Bartók-Pártay (University of Warwick).

Changes to total energy evaluations and allowing numbers of atoms to be specified directly.

Minor bug fixes relating to writing of .xyz file and nearest-neighbour swaps.

Initial release