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2009-08-07 | hackbard | decreased output + parse all OUTCAR* files | tree | commitdiff |
2009-08-07 | hackbard | feature to fix atoms at x=0 or y=0 or z=0 | tree | commitdiff |
2009-08-05 | hackbard | forgot the lattice constant | tree | commitdiff |
2009-08-05 | hackbard | convert POSCAr files to moldyn xyz output | tree | commitdiff |
2009-07-27 | hackbard | method 2 working now ... | tree | commitdiff |
2009-07-24 | hackbard | read in free taom energy ... | tree | commitdiff |
2009-07-16 | hackbard | added free energies of Si and C for 650 eV cut-off... | tree | commitdiff |
2009-07-13 | hackbard | consistent 110 direction | tree | commitdiff |
2009-07-08 | hackbard | well, sure, just increment each basis by 1 ... (should... | tree | commitdiff |
2009-07-08 | hackbard | added 3 basis types ... seems to work (checking right... | tree | commitdiff |
2009-07-08 | hackbard | added some helper tools for vasp usage | tree | commitdiff |