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2008-01-24	hackbard	added pair correlation calc code	commit \| commitdiff \| tree \| snapshot
2008-01-15	hackbard	adding pair correlation function	commit \| commitdiff \| tree \| snapshot
2007-11-13	hackbard	isecurity checkin .. .we have the diffs anyways!	commit \| commitdiff \| tree \| snapshot
2007-10-10	hackbard	more interstitial testing, added bond visualization	commit \| commitdiff \| tree \| snapshot
2007-10-09	hackbard	incorporated visual functions to moldyn api	commit \| commitdiff \| tree \| snapshot
2007-10-04	hackbard	added del_atom function	commit \| commitdiff \| tree \| snapshot
2007-10-04	hackbard	auto read atom count	commit \| commitdiff \| tree \| snapshot
2007-10-02	hackbard	more defines, current sic.c for calculationg interstiti...	commit \| commitdiff \| tree \| snapshot
2007-10-02	hackbard	changed default resolution	commit \| commitdiff \| tree \| snapshot
2007-10-02	hackbard	changed signes -> more intuitive!	commit \| commitdiff \| tree \| snapshot
2007-10-02	hackbard	energy_scale bug + log count bug fixed	commit \| commitdiff \| tree \| snapshot
2007-10-02	hackbard	3 methods of calculating interstitial formation energies	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	Makefile: clean everything, moldyn: add time info	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	added some definitions to make the testing app sic...	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	corrected save file open call	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	corrected include	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	some initial foo checkin of posic (posic reimplemantation)	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	examples/hints added	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	new Makefile	commit \| commitdiff \| tree \| snapshot
2007-09-10	hackbard	terrible mistake! adjusted cutoff for SiC	commit \| commitdiff \| tree \| snapshot
2007-09-07	hackbard	added povconv tool to convert fron moldyn to parcs...	commit \| commitdiff \| tree \| snapshot
2007-08-17	hackbard	initial checkin for config.default (prepare new md...	commit \| commitdiff \| tree \| snapshot
2007-08-16	hackbard	added very simple delta e calc script	commit \| commitdiff \| tree \| snapshot
2007-08-16	hackbard	test without float-store compiler option	commit \| commitdiff \| tree \| snapshot
2007-08-14	hackbard	manual boundaries	commit \| commitdiff \| tree \| snapshot
2007-08-13	hackbard	visualization stuff	commit \| commitdiff \| tree \| snapshot
2007-08-02	hackbard	sualization mods + adabtions	commit \| commitdiff \| tree \| snapshot
2007-07-25	hackbard	changes to visualization, not finished by now!	commit \| commitdiff \| tree \| snapshot
2007-07-23	hackbard	added postproc stuff, sic mods (today i was a lazy...	commit \| commitdiff \| tree \| snapshot
2007-07-19	hackbard	small mods to support site energies and kinetic energie...	commit \| commitdiff \| tree \| snapshot
2007-07-17	hackbard	prepared another way of carbon injection	commit \| commitdiff \| tree \| snapshot
2007-07-12	hackbard	runtime schedule adding and injection of c atoms origin	commit \| commitdiff \| tree \| snapshot
2007-07-12	hackbard	runtime schedule adding => hooks must be executed even...	commit \| commitdiff \| tree \| snapshot
2007-07-12	hackbard	's/for/while/' <- runtime schedule adding possible now	commit \| commitdiff \| tree \| snapshot
2007-07-11	hackbard	average calc moved, more fscking virial testing	commit \| commitdiff \| tree \| snapshot
2007-07-10	hackbard	safety checkin, gergo here!	commit \| commitdiff \| tree \| snapshot
2007-07-06	hackbard	some fixes	commit \| commitdiff \| tree \| snapshot
2007-07-05	hackbard	added fluctuation calc code	commit \| commitdiff \| tree \| snapshot
2007-07-03	hackbard	changed energy fluctuation calc and heat cap calc	commit \| commitdiff \| tree \| snapshot
2007-06-29	hackbard	still playing around with heat capacity ...	commit \| commitdiff \| tree \| snapshot
2007-06-28	hackbard	corrected random fd close	commit \| commitdiff \| tree \| snapshot
2007-06-27	hackbard	post proc stand alone tool	commit \| commitdiff \| tree \| snapshot
2007-06-27	hackbard	added post proc stuff	commit \| commitdiff \| tree \| snapshot
2007-06-27	hackbard	added still buggy post processing functions	commit \| commitdiff \| tree \| snapshot
2007-05-30	hackbard	albe force calc bug fixed, sic mods, mean virial	commit \| commitdiff \| tree \| snapshot
2007-05-22	hackbard	added albe potential (still wrong energy!)	commit \| commitdiff \| tree \| snapshot
2007-05-18	hackbard	first sic tests	commit \| commitdiff \| tree \| snapshot
2007-05-03	hackbard	put repulsive part to 3bp/j2 function	commit \| commitdiff \| tree \| snapshot
2007-05-03	hackbard	fixed sign	commit \| commitdiff \| tree \| snapshot
2007-04-27	hackbard	add another way of calculating tersoff + small moldyn...	commit \| commitdiff \| tree \| snapshot
2007-03-14	hackbard	improved log/report subsystem, playing around w/ pressu...	commit \| commitdiff \| tree \| snapshot
2007-03-07	hackbard	tersoff MAYBE fixed now!	commit \| commitdiff \| tree \| snapshot
2007-03-05	hackbard	added potential header files	commit \| commitdiff \| tree \| snapshot
2007-03-05	hackbard	new structure (skipped 2 inlines) same code!	commit \| commitdiff \| tree \| snapshot
2007-03-05	hackbard	new src file layout (warning: doesnt compile by now!)	commit \| commitdiff \| tree \| snapshot
2007-01-31	hackbard	create_lattice fixes, still virial probs ...	commit \| commitdiff \| tree \| snapshot
2007-01-26	hackbard	pt scaling tests, though pressure estimation still...	commit \| commitdiff \| tree \| snapshot
2007-01-25	hackbard	nur foo ...	commit \| commitdiff \| tree \| snapshot
2007-01-24	hackbard	still pressure (+ fixes with cubic lattce and ho potent...	commit \| commitdiff \| tree \| snapshot
2007-01-23	hackbard	added report system, still messing around with virial...	commit \| commitdiff \| tree \| snapshot
2007-01-17	hackbard	...	commit \| commitdiff \| tree \| snapshot
2007-01-15	hackbard	cleaning + set hook function	commit \| commitdiff \| tree \| snapshot
2007-01-12	hackbard	still full of bugs ...	commit \| commitdiff \| tree \| snapshot
2006-12-28	hackbard	bugfix dg of dV_ji,jk	commit \| commitdiff \| tree \| snapshot
2006-12-18	hackbard	foo	commit \| commitdiff \| tree \| snapshot
2006-12-17	hackbard	testing foo	commit \| commitdiff \| tree \| snapshot
2006-12-15	hackbard	pot hopefully ok, doing timestep tests for 450C now ...	commit \| commitdiff \| tree \| snapshot
2006-12-15	hackbard	actually just bullshit ... (added unique tag -> maybe...	commit \| commitdiff \| tree \| snapshot
2006-12-14	hackbard	just foo	commit \| commitdiff \| tree \| snapshot
2006-12-14	hackbard	sync file added	commit \| commitdiff \| tree \| snapshot
2006-12-14	hackbard	safety ci	commit \| commitdiff \| tree \| snapshot
2006-12-14	hackbard	init in moldyn now	commit \| commitdiff \| tree \| snapshot
2006-12-14	hackbard	new linked list system, still a pain inthe ...	commit \| commitdiff \| tree \| snapshot
2006-12-13	hackbard	basic p control added, virial still needed!	commit \| commitdiff \| tree \| snapshot
2006-12-13	hackbard	safety checkin	commit \| commitdiff \| tree \| snapshot
2006-12-12	hackbard	check_per_bound, comparing real numbers <- problem...	commit \| commitdiff \| tree \| snapshot
2006-12-12	hackbard	fixed 2bp, todo: adjust create lattice, then go for 3bp	commit \| commitdiff \| tree \| snapshot
2006-12-12	hackbard	safety checkin	commit \| commitdiff \| tree \| snapshot
2006-12-11	hackbard	scaling to fs, angstrom, amu done, probs with velocity...	commit \| commitdiff \| tree \| snapshot
2006-12-11	hackbard	compiler probs ?!? bc check ... (working with gcc-3.4)	commit \| commitdiff \| tree \| snapshot
2006-12-11	hackbard	bc check probs	commit \| commitdiff \| tree \| snapshot
2006-12-11	hackbard	security checkin	commit \| commitdiff \| tree \| snapshot
2006-12-10	hackbard	mods to corect 3bp derivative, still segfaulting ...	commit \| commitdiff \| tree \| snapshot
2006-12-10	hackbard	nearly finished 3bp tersoff routine (2bp post needs...	commit \| commitdiff \| tree \| snapshot
2006-12-08	hackbard	dist vectors changed, lj and ho forces adjusted, tersof...	commit \| commitdiff \| tree \| snapshot
2006-12-07	hackbard	more tersoff changes, still a mess!	commit \| commitdiff \| tree \| snapshot
2006-12-06	hackbard	need sleep, continue debugging soon!	commit \| commitdiff \| tree \| snapshot
2006-12-05	hackbard	func2b is now again real func2b ... still -> nan! :/	commit \| commitdiff \| tree \| snapshot
2006-12-05	hackbard	some bugfixes ... com'on	commit \| commitdiff \| tree \| snapshot
2006-12-05	hackbard	moved functions to header file and made them static...	commit \| commitdiff \| tree \| snapshot
2006-12-04	hackbard	no segfaulst anymore BUT take care, definetly calculati...	commit \| commitdiff \| tree \| snapshot
2006-12-04	hackbard	added 2bp post function .. this is getting sick!	commit \| commitdiff \| tree \| snapshot
2006-12-03	hackbard	tests ...	commit \| commitdiff \| tree \| snapshot
2006-12-01	hackbard	ready for tersoff 3bp debugging	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	vel scaling issues, tersoff still segfaulting!	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	testing	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	neighbourk fix	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	into the tersoff potential	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	vel scaling fixed/changed	commit \| commitdiff \| tree \| snapshot
2006-11-30	hackbard	testing	commit \| commitdiff \| tree \| snapshot
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