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patch to enable rotation of the constraints basis (test in progress!)
[physik/posic.git] / vasp_tools /
2009-09-21 hackbardpatch to enable rotation of the constraints basis ... tree | commitdiff
2009-09-21 hackbardmake stdvis more comfortable to use (at least for me) tree | commitdiff
2009-09-21 hackbardscript to calculate the energy over the reaction coordinate tree | commitdiff
2009-09-13 hackbardsave in src dir + app(endix) tree | commitdiff
2009-09-13 hackbardadded renew feature tree | commitdiff
2009-09-13 hackbardadded average feature (needs to get extended) tree | commitdiff
2009-09-13 hackbardinitial positions from outcar to moldyn format tree | commitdiff
2009-09-13 hackbardpc script tree | commitdiff
2009-09-13 hackbardadded a pc calc for ascci files produced by outcar2mold... tree | commitdiff
2009-09-10 hackbardtotal energies printed out too tree | commitdiff
2009-08-26 hackbardcare for appendices tree | commitdiff
2009-08-26 hackbarda more generic trafo tool tree | commitdiff
2009-08-20 hackbardadded a temp check (still sth is wrong!) tree | commitdiff
2009-08-20 hackbardmore easy ... tree | commitdiff
2009-08-20 hackbardmore trafo (still sth is wrong!) tree | commitdiff
2009-08-20 hackbardadded trafo c code tree | commitdiff
2009-08-12 hackbardadded trafo file (not working correctly by now) + mods... tree | commitdiff
2009-08-07 hackbardfeature: displacement instead of time tree | commitdiff
2009-08-07 hackbarddecreased output + parse all OUTCAR* files tree | commitdiff
2009-08-07 hackbardfeature to fix atoms at x=0 or y=0 or z=0 tree | commitdiff
2009-08-05 hackbardforgot the lattice constant tree | commitdiff
2009-08-05 hackbardconvert POSCAr files to moldyn xyz output tree | commitdiff
2009-07-27 hackbardmethod 2 working now ... tree | commitdiff
2009-07-24 hackbardread in free taom energy ... tree | commitdiff
2009-07-16 hackbardadded free energies of Si and C for 650 eV cut-off... tree | commitdiff
2009-07-13 hackbardconsistent 110 direction tree | commitdiff
2009-07-08 hackbardwell, sure, just increment each basis by 1 ... (should... tree | commitdiff
2009-07-08 hackbardadded 3 basis types ... seems to work (checking right... tree | commitdiff
2009-07-08 hackbardadded some helper tools for vasp usage tree | commitdiff
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