]> www.hackdaworld.org Git - physik/posic.git/history - moldyn.h
Merge branch 'leadoff'
[physik/posic.git] / moldyn.h
2012-02-20 hackbardMerge branch 'leadoff' master
2009-09-11 hackbardadded msd calc + 11x constraints as ifdef
2009-08-17 hackbardadded offset feature
2009-06-13 hackbardremoved tersoff 1bp function, added PDEBUG define,...
2008-12-17 hackbardcleaned partial lattice create + added defect feature...
2008-11-11 hackbardsecurity checkin: fixes to lattice stage, px py pz...
2008-11-07 hackbardadded partition support in create_lattice function
2008-10-16 hackbardpthredas working now (by partitioning atoms into count...
2008-10-02 hackbardpthreads -> albe fast (beginning)
2008-09-26 hackbardpthread imp started for orig albe (more easier in the...
2008-09-26 hackbardio thread needed for visual atom call! changed.
2008-09-09 hackbardintroduced process_neighbours function
2008-09-01 hackbardintroduced lowmem lists
2008-08-31 hackbardnew pse handling
2008-08-18 hackbardinsert mixed atoms feature added (will be renamed an...
2008-07-30 hackbardintroduced albe_orig (much faster!) + small change...
2008-07-24 hackbardnew albe potential + new force calc routine (old potent...
2008-07-10 hackbardadapted to play around with new albe implementation
2008-05-05 hackbardsearch bonds using infrastructure now, new visual atoms...
2008-04-29 hackbardavgrst fix + introduced px,py,pz into moldyn (for futur...
2008-04-29 hackbardunstable but might run ...
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
2008-02-18 hackbardfinished diffusion code
2008-02-06 hackbardincreased relaxation steps + introduced average reset...
2008-02-06 hackbardfloat-store bugfix (unstatisfying!) + slightly new...
2008-01-31 hackbardadded static lists (but: glibc double free prob (for...
2008-01-24 hackbardadded pair correlation calc code
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
2007-10-02 hackbardchanged signes -> more intuitive!
2007-09-10 hackbardterrible mistake! adjusted cutoff for SiC
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...
2007-07-11 hackbardaverage calc moved, more fscking virial testing
2007-07-10 hackbardsafety checkin, gergo here!
2007-07-05 hackbardadded fluctuation calc code
2007-07-03 hackbardchanged energy fluctuation calc and heat cap calc
2007-06-27 hackbardadded post proc stuff
2007-06-27 hackbardadded still buggy post processing functions
2007-05-30 hackbardalbe force calc bug fixed, sic mods, mean virial
2007-05-22 hackbardadded albe potential (still wrong energy!)
2007-05-18 hackbardfirst sic tests
2007-04-27 hackbardadd another way of calculating tersoff + small moldyn...
2007-03-14 hackbardimproved log/report subsystem, playing around w/ pressu...
2007-03-07 hackbardtersoff MAYBE fixed now!
2007-03-05 hackbardnew structure (skipped 2 inlines) same code!
2007-01-31 hackbardcreate_lattice fixes, still virial probs ...
2007-01-26 hackbardpt scaling tests, though pressure estimation still...
2007-01-25 hackbardnur foo ...
2007-01-24 hackbardstill pressure (+ fixes with cubic lattce and ho potent...
2007-01-23 hackbardadded report system, still messing around with virial...
2007-01-17 hackbard...
2007-01-15 hackbardcleaning + set hook function
2007-01-12 hackbardstill full of bugs ...
2006-12-28 hackbardbugfix dg of dV_ji,jk
2006-12-17 hackbardtesting foo
2006-12-15 hackbardpot hopefully ok, doing timestep tests for 450C now ...
2006-12-15 hackbardactually just bullshit ... (added unique tag -> maybe...
2006-12-14 hackbardjust foo
2006-12-14 hackbardsafety ci
2006-12-14 hackbardnew linked list system, still a pain inthe ...
2006-12-13 hackbardbasic p control added, virial still needed!
2006-12-12 hackbardsafety checkin
2006-12-11 hackbardscaling to fs, angstrom, amu done, probs with velocity...
2006-12-11 hackbardbc check probs
2006-12-10 hackbardnearly finished 3bp tersoff routine (2bp post needs...
2006-12-07 hackbardmore tersoff changes, still a mess!
2006-12-06 hackbardneed sleep, continue debugging soon!
2006-12-05 hackbardfunc2b is now again real func2b ... still -> nan! :/
2006-12-05 hackbardsome bugfixes ... com'on
2006-12-04 hackbardno segfaulst anymore BUT take care, definetly calculati...
2006-12-04 hackbardadded 2bp post function .. this is getting sick!
2006-12-03 hackbardtests ...
2006-12-01 hackbardready for tersoff 3bp debugging
2006-11-30 hackbardinto the tersoff potential
2006-11-30 hackbardvel scaling fixed/changed
2006-11-29 hackbardmore foo
2006-11-29 hackbardtest
2006-11-28 hackbardwell, no more segfaults -> now its getting hard to...
2006-11-28 hackbardstill: moldyn.c:1236: error: parse error at end of...
2006-11-28 hackbardmore updates, now get the code running .... :/
2006-11-26 hackbardmore changes ...
2006-11-25 hackbardfoo
2006-11-24 hackbardmore changes ...
2006-11-24 hackbardfinished basic tersoff stuff, now start fixing ... !
2006-11-23 hackbardnearly finished tersoff potential ...
2006-11-22 hackbardnearly finished tersoff 2 body part and new api
2006-11-22 hackbardsecurity ci
2006-11-21 hackbardmore updates
2006-11-17 hackbardbegan rewrite ...
2006-08-03 hackbardlj fixes + first lines of tersoff potential
2006-06-13 hackbardfixed several stupid mistakes
2006-05-05 hackbardlinked cell list updates (not well working by now!)
2006-04-28 hackbardimplemented link cell method, segfaulting by now!
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