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Merge branch 'leadoff'
[physik/posic.git] / vasp_tools /
2012-02-20 hackbardMerge branch 'leadoff' master tree | commitdiff
2011-07-12 hackbardenergy updates tree | commitdiff
2011-07-12 hackbardsome more files tree | commitdiff
2010-07-13 hackbardtool to build crude interface for vasp tree | commitdiff
2010-03-23 hackbardsome checkins tree | commitdiff
2010-03-23 hackbardadded acos to angle calc tree | commitdiff
2010-03-23 hackbardadded avg disp calc tool (dirty) tree | commitdiff
2010-03-04 hackbardsmall fx and new features tree | commitdiff
2010-02-08 hackbardadded the all stoms crt patch tree | commitdiff
2010-01-27 hackbardadded angle calc (acos problem still existing) tree | commitdiff
2010-01-27 hackbardadded sip and dist calc for vasp results tree | commitdiff
2009-11-10 hackbardsecurity checkin: save fullct mig script tree | commitdiff
2009-10-29 hackbardsec checkin since accidentally deleted (and recovered... tree | commitdiff
2009-10-26 hackbardinterpolating poscar files for neb tree | commitdiff
2009-10-23 hackbardcheck whether transformed selective dynamics are used... tree | commitdiff
2009-10-13 hackbardcount spins ... tree | commitdiff
2009-10-12 hackbardadded display of partialy occupied levels in a differen... tree | commitdiff
2009-10-11 hackbardtool to create POSCAR files for 2nd db configurations tree | commitdiff
2009-10-09 hackbardtool to visualize the kohn-sham levels tree | commitdiff
2009-10-08 hackbardadded fractional output (search bonds) + video{.*}... tree | commitdiff
2009-10-08 hackbardadded script to visualize contcar results tree | commitdiff
2009-10-06 hackbardpc script adapted to new pc_calc version tree | commitdiff
2009-10-06 hackbardpc calc hopefully corrected now tree | commitdiff
2009-10-05 hackbardbugfix + should be correct now (go on to do this for... tree | commitdiff
2009-10-05 hackbardadded search bonds file ... tree | commitdiff
2009-09-30 hackbardadded script to make a video from last xyz files of... tree | commitdiff
2009-09-29 hackbardsupport bonds for more than one atom tree | commitdiff
2009-09-24 hackbardcheck for existing stuff tree | commitdiff
2009-09-24 hackbardjust to have this stored somewhere ... tree | commitdiff
2009-09-23 hackbardstdvis adapted to new visualize script tree | commitdiff
2009-09-23 hackbardauto bond feature added tree | commitdiff
2009-09-22 hackbardmirror feature + new std vis tree | commitdiff
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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