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2009-02-06 | hackbard | added Posselt formation energy calc | blob | commitdiff | raw |
2009-01-28 | hackbard | added del_atoms, playing with Ef calc, some more TODO | blob | commitdiff | raw | diff to current |
2008-12-17 | hackbard | cleaned partial lattice create + added defect feature... | blob | commitdiff | raw | diff to current |
2007-10-04 | hackbard | auto read atom count | blob | commitdiff | raw | diff to current |
2007-10-02 | hackbard | 3 methods of calculating interstitial formation energies | blob | commitdiff | raw | diff to current |
2007-08-16 | hackbard | added very simple delta e calc script | blob | commitdiff | raw | diff to current |