Version History and Bugs

1.50:
	constituent strain
	allow any structure names
	allow new structures to be added at all times

1.66:
	unit cell in 'symmetric' form, ready for ab-initio codes
	constituent strain fitting code
	temperature-dependent ECI in Monte Carlo code
	manual in tex/html
	reciprocal space Monte-Carlo (BETA)
	easy-to-configure job control scripts

2.03:
	vibrational and electronic entropy included.

2.50:
	mixed canonical/grandcanonical multicomponent monte carlo

2.53:
	reciprocal space multicomponent monte carlo (for electrostatics)

2.54:
	automated patching system for c++ language qwirks

2.70:
	tensorial/generalized cluster expansion (gce utility)

2.71:
	fixed bug in multisublattice structure enumeration routine
	(only affects cases where a pure translation maps one sublattice onto another:
	omits some structures with lattice vector equal to one of the unit cell lattice vectors
	cluster expansions not affected, but perhaps missed ground states or SQS, but unlikely)



[email protected] Wed, Dec 6, 2023 12:55:16 PM