Version 0.44 (October 2018)

Added a simple pair-based extrapolation (spbe) calculator to predict energies for n>2 substitutions from the energies for n=0, 1, and 2 substitutions.
Makefile added; just type make all from ROOTSOD to compile all the fortran code.
All scripts converted to bash; they are all in the ROOTSOD/bin folder, and have extension .sh
Resolved issue in scripts related to number of columns from ls -al command.
sod_stat now calculates thermodynamic properties at T=1K, 300K, 1000K and in the limit of a very high temperature, if the TEMPERATURES file does not exist.

Version 0.46 (November 2018)

Increased precision of reals in spbe to avoid numerical errors.
The spbe calculation can be corrected using two reference energies, via INSPBE file.
Example 1 was changed to illustrate the spbe procedure (including rescaling).

spbe module creates INSPBE template (INSPBE.tmp) to make rescaling step easier.
Bug that led to error message when running combinatorics with FILER=0 corrected.

Some memory issues in combinatorial generation sorted.
sod_gener.sh generates VASP or GULP input files from OUTSOD (and INSOD) without having to redo the combinatorics.
Grand-canonical analysis now posible using sod_gcstat.sh.
Stress-volume correction in the grand-canonical analysis implemented.
Canonical analysis with sod_stat.sh now includes the full disorder limit.
Other minor improvements in format for statistical analysis.
Statistics on spectra (both canonical and grand-canonical)
Input files for CASTEP can be created.

Made arrays allocatable in gcstatsod.f90, which fixes some issue with gfortran compilar in MacOS.
Added the sgo/ folder, which was missing in previous release by mistake.