]> hackdaworld.org Git - physik/posic.git/shortlog
physik/posic.git
2008-07-10 hackbardsecured original albe implementation
2008-05-28 hackbardfixed tersoff virial calc
2008-05-28 hackbardadded 2b bond check for tersoff
2008-05-16 hackbardcorrection of fatal errors!
2008-05-13 hackbardimplemented continue featue + skipped d calc in bond_an...
2008-05-13 hackbardnew things to remember!
2008-05-09 hackbarddisplace stage type added
2008-05-09 hackbardmore precise print for t and p scaling
2008-05-09 hackbardadded display atom data tool
2008-05-07 hackbardremeber file .. wichtig
2008-05-07 hackbard1-6
2008-05-05 hackbardcentre atoms for visualization
2008-05-05 hackbardsearch bonds using infrastructure now, new visual atoms...
2008-05-05 hackbardtool to search for bonds
2008-05-03 hackbardadded position insertion method + fixed positioning
2008-04-30 hackbardadded pse file
2008-04-30 hackbarddeleted printfs
2008-04-29 hackbardstupid unit mistake prelax dp
2008-04-29 hackbardmore verbose insertion + d2 fix
2008-04-29 hackbardavgrst fix + introduced px,py,pz into moldyn (for futur...
2008-04-29 hackbardunstable but might run ...
2008-04-29 hackbardsafety checkin before mensa
2008-04-29 hackbardfixed compile errors, no testing yet!
2008-04-28 hackbardsafety checkin
2008-04-25 hackbardmdrun iinit. untested + not working by now!
2008-04-16 hackbardadapted all potential to new scheme + necessary mods...
2008-04-15 hackbardfixed bond analyze, introduced more comfortable set...
2008-04-09 hackbardintroduce a 2body bond function with callback, modified...
2008-04-05 hackbardimplemented basic p ctrl stuff + video with 13 fps
2008-04-03 hackbardoptimized force eval in k loop!
2008-02-19 hackbardchanged visualize script from angstrom to unit cell...
2008-02-18 hackbardfinished diffusion code
2008-02-18 hackbardadded diffusion code
2008-02-17 hackbardchanged state machine behaviour
2008-02-17 hackbardadded normalization to pair correlation calc
2008-02-17 hackbardadded 001 dumbbell config + user dfefined insertion...
2008-02-17 hackbardmencoder mf options
2008-02-17 hackbardstart of diffusion calc function
2008-02-17 hackbardnew default camera position in run script
2008-02-17 hackbardadded run script for the rx200 cluster
2008-02-16 hackbardfixed title name
2008-02-13 hackbardrewritten state machine
2008-02-13 hackbardno DEBUG by default
2008-02-13 hackbardinitial lattice control
2008-02-13 hackbardadded insertion type controled by config.h
2008-02-13 hackbardadded DATOM definition
2008-02-12 hackbardmore structured run script (concerning visualization)
2008-02-12 hackbardextended debugging, implemented fixed position attribute
2008-02-11 hackbardpair corr calc atom data offset correction
2008-02-10 hackbardenhanced visualize script to create single images
2008-02-10 hackbardchanges to pair correlation calc code
2008-02-10 hackbardadded $1 check - removed lots of files :(
2008-02-08 hackbardfixed missing init for new atoms (especially force...
2008-02-06 hackbardincreased relaxation steps + introduced average reset...
2008-02-06 hackbardadded (sample) configuration file
2008-02-06 hackbardfloat-store bugfix (unstatisfying!) + slightly new...
2008-02-01 hackbardsome changes (still invalid pointer freed!)
2008-01-31 hackbardadded static lists (but: glibc double free prob (for...
2008-01-24 hackbardadded pair correlation calc code
2008-01-15 hackbardadding pair correlation function
2007-11-13 hackbardisecurity checkin .. .we have the diffs anyways!
2007-10-10 hackbardmore interstitial testing, added bond visualization
2007-10-09 hackbardincorporated visual functions to moldyn api
2007-10-04 hackbardadded del_atom function
2007-10-04 hackbardauto read atom count
2007-10-02 hackbardmore defines, current sic.c for calculationg interstiti...
2007-10-02 hackbardchanged default resolution
2007-10-02 hackbardchanged signes -> more intuitive!
2007-10-02 hackbardenergy_scale bug + log count bug fixed
2007-10-02 hackbard3 methods of calculating interstitial formation energies
2007-09-10 hackbardMakefile: clean everything, moldyn: add time info
2007-09-10 hackbardadded some definitions to make the testing app sic...
2007-09-10 hackbardcorrected save file open call
2007-09-10 hackbardcorrected include
2007-09-10 hackbardsome initial foo checkin of posic (posic reimplemantation)
2007-09-10 hackbardexamples/hints added
2007-09-10 hackbardnew Makefile
2007-09-10 hackbardterrible mistake! adjusted cutoff for SiC
2007-09-07 hackbardadded povconv tool to convert fron moldyn to parcs...
2007-08-17 hackbardinitial checkin for config.default (prepare new md...
2007-08-16 hackbardadded very simple delta e calc script
2007-08-16 hackbardtest without float-store compiler option
2007-08-14 hackbardmanual boundaries
2007-08-13 hackbardvisualization stuff
2007-08-02 hackbardsualization mods + adabtions
2007-07-25 hackbardchanges to visualization, not finished by now!
2007-07-23 hackbardadded postproc stuff, sic mods (today i was a lazy...
2007-07-19 hackbardsmall mods to support site energies and kinetic energie...
2007-07-17 hackbardprepared another way of carbon injection
2007-07-12 hackbardruntime schedule adding and injection of c atoms origin
2007-07-12 hackbardruntime schedule adding => hooks must be executed even...
2007-07-12 hackbard's/for/while/' <- runtime schedule adding possible now
2007-07-11 hackbardaverage calc moved, more fscking virial testing
2007-07-10 hackbardsafety checkin, gergo here!
2007-07-06 hackbardsome fixes
2007-07-05 hackbardadded fluctuation calc code
2007-07-03 hackbardchanged energy fluctuation calc and heat cap calc
2007-06-29 hackbardstill playing around with heat capacity ...
2007-06-28 hackbardcorrected random fd close
2007-06-27 hackbardpost proc stand alone tool
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