35 lines
979 B
Plaintext
35 lines
979 B
Plaintext
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1.50:
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constituent strain
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allow any structure names
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allow new structures to be added at all times
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1.66:
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unit cell in 'symmetric' form, ready for ab-initio codes
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constituent strain fitting code
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temperature-dependent ECI in Monte Carlo code
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manual in tex/html
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reciprocal space Monte-Carlo (BETA)
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easy-to-configure job control scripts
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2.03:
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vibrational and electronic entropy included.
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2.50:
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mixed canonical/grandcanonical multicomponent monte carlo
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2.53:
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reciprocal space multicomponent monte carlo (for electrostatics)
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2.54:
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automated patching system for c++ language qwirks
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2.70:
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tensorial/generalized cluster expansion (gce utility)
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2.71:
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fixed bug in multisublattice structure enumeration routine
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(only affects cases where a pure translation maps one sublattice onto another:
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omits some structures with lattice vector equal to one of the unit cell lattice vectors
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cluster expansions not affected, but perhaps missed ground states or SQS, but unlikely)
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