hackdaworld.org Git - physik/posic.git/history

]> hackdaworld.org Git - physik/posic.git/history - moldyn.c

2008-07-30	hackbard	introduced albe_orig (much faster!) + small change...	blob \| commitdiff \| raw
2008-07-24	hackbard	new albe potential + new force calc routine (old potent...	blob \| commitdiff \| raw \| diff to current
2008-07-10	hackbard	adapted to play around with new albe implementation	blob \| commitdiff \| raw \| diff to current
2008-05-28	hackbard	added 2b bond check for tersoff	blob \| commitdiff \| raw \| diff to current
2008-05-13	hackbard	implemented continue featue + skipped d calc in bond_an...	blob \| commitdiff \| raw \| diff to current
2008-05-09	hackbard	more precise print for t and p scaling	blob \| commitdiff \| raw \| diff to current
2008-05-05	hackbard	search bonds using infrastructure now, new visual atoms...	blob \| commitdiff \| raw \| diff to current
2008-04-29	hackbard	unstable but might run ...	blob \| commitdiff \| raw \| diff to current
2008-04-29	hackbard	safety checkin before mensa	blob \| commitdiff \| raw \| diff to current
2008-04-29	hackbard	fixed compile errors, no testing yet!	blob \| commitdiff \| raw \| diff to current
2008-04-28	hackbard	safety checkin	blob \| commitdiff \| raw \| diff to current
2008-04-25	hackbard	mdrun iinit. untested + not working by now!	blob \| commitdiff \| raw \| diff to current
2008-04-16	hackbard	adapted all potential to new scheme + necessary mods...	blob \| commitdiff \| raw \| diff to current
2008-04-15	hackbard	fixed bond analyze, introduced more comfortable set...	blob \| commitdiff \| raw \| diff to current
2008-04-09	hackbard	introduce a 2body bond function with callback, modified...	blob \| commitdiff \| raw \| diff to current
2008-04-05	hackbard	implemented basic p ctrl stuff + video with 13 fps	blob \| commitdiff \| raw \| diff to current
2008-02-18	hackbard	finished diffusion code	blob \| commitdiff \| raw \| diff to current
2008-02-17	hackbard	added normalization to pair correlation calc	blob \| commitdiff \| raw \| diff to current
2008-02-17	hackbard	start of diffusion calc function	blob \| commitdiff \| raw \| diff to current
2008-02-12	hackbard	extended debugging, implemented fixed position attribute	blob \| commitdiff \| raw \| diff to current
2008-02-11	hackbard	pair corr calc atom data offset correction	blob \| commitdiff \| raw \| diff to current
2008-02-08	hackbard	fixed missing init for new atoms (especially force...	blob \| commitdiff \| raw \| diff to current
2008-02-06	hackbard	increased relaxation steps + introduced average reset...	blob \| commitdiff \| raw \| diff to current
2008-02-06	hackbard	float-store bugfix (unstatisfying!) + slightly new...	blob \| commitdiff \| raw \| diff to current
2008-02-01	hackbard	some changes (still invalid pointer freed!)	blob \| commitdiff \| raw \| diff to current
2008-01-31	hackbard	added static lists (but: glibc double free prob (for...	blob \| commitdiff \| raw \| diff to current
2008-01-24	hackbard	added pair correlation calc code	blob \| commitdiff \| raw \| diff to current
2008-01-15	hackbard	adding pair correlation function	blob \| commitdiff \| raw \| diff to current
2007-11-13	hackbard	isecurity checkin .. .we have the diffs anyways!	blob \| commitdiff \| raw \| diff to current
2007-10-10	hackbard	more interstitial testing, added bond visualization	blob \| commitdiff \| raw \| diff to current
2007-10-09	hackbard	incorporated visual functions to moldyn api	blob \| commitdiff \| raw \| diff to current
2007-10-04	hackbard	added del_atom function	blob \| commitdiff \| raw \| diff to current
2007-10-02	hackbard	energy_scale bug + log count bug fixed	blob \| commitdiff \| raw \| diff to current
2007-09-10	hackbard	Makefile: clean everything, moldyn: add time info	blob \| commitdiff \| raw \| diff to current
2007-09-10	hackbard	corrected save file open call	blob \| commitdiff \| raw \| diff to current
2007-07-23	hackbard	added postproc stuff, sic mods (today i was a lazy...	blob \| commitdiff \| raw \| diff to current
2007-07-19	hackbard	small mods to support site energies and kinetic energie...	blob \| commitdiff \| raw \| diff to current
2007-07-12	hackbard	runtime schedule adding => hooks must be executed even...	blob \| commitdiff \| raw \| diff to current
2007-07-12	hackbard	's/for/while/' <- runtime schedule adding possible now	blob \| commitdiff \| raw \| diff to current
2007-07-11	hackbard	average calc moved, more fscking virial testing	blob \| commitdiff \| raw \| diff to current
2007-07-10	hackbard	safety checkin, gergo here!	blob \| commitdiff \| raw \| diff to current
2007-07-05	hackbard	added fluctuation calc code	blob \| commitdiff \| raw \| diff to current
2007-07-03	hackbard	changed energy fluctuation calc and heat cap calc	blob \| commitdiff \| raw \| diff to current
2007-06-29	hackbard	still playing around with heat capacity ...	blob \| commitdiff \| raw \| diff to current
2007-06-27	hackbard	added post proc stuff	blob \| commitdiff \| raw \| diff to current
2007-06-27	hackbard	added still buggy post processing functions	blob \| commitdiff \| raw \| diff to current
2007-05-30	hackbard	albe force calc bug fixed, sic mods, mean virial	blob \| commitdiff \| raw \| diff to current
2007-05-18	hackbard	first sic tests	blob \| commitdiff \| raw \| diff to current
2007-05-03	hackbard	put repulsive part to 3bp/j2 function	blob \| commitdiff \| raw \| diff to current
2007-04-27	hackbard	add another way of calculating tersoff + small moldyn...	blob \| commitdiff \| raw \| diff to current
2007-03-14	hackbard	improved log/report subsystem, playing around w/ pressu...	blob \| commitdiff \| raw \| diff to current
2007-03-07	hackbard	tersoff MAYBE fixed now!	blob \| commitdiff \| raw \| diff to current
2007-03-05	hackbard	new structure (skipped 2 inlines) same code!	blob \| commitdiff \| raw \| diff to current
2007-03-05	hackbard	new src file layout (warning: doesnt compile by now!)	blob \| commitdiff \| raw \| diff to current
2007-01-31	hackbard	create_lattice fixes, still virial probs ...	blob \| commitdiff \| raw \| diff to current
2007-01-26	hackbard	pt scaling tests, though pressure estimation still...	blob \| commitdiff \| raw \| diff to current
2007-01-25	hackbard	nur foo ...	blob \| commitdiff \| raw \| diff to current
2007-01-24	hackbard	still pressure (+ fixes with cubic lattce and ho potent...	blob \| commitdiff \| raw \| diff to current
2007-01-23	hackbard	added report system, still messing around with virial...	blob \| commitdiff \| raw \| diff to current
2007-01-17	hackbard	...	blob \| commitdiff \| raw \| diff to current
2007-01-15	hackbard	cleaning + set hook function	blob \| commitdiff \| raw \| diff to current
2007-01-12	hackbard	still full of bugs ...	blob \| commitdiff \| raw \| diff to current
2006-12-28	hackbard	bugfix dg of dV_ji,jk	blob \| commitdiff \| raw \| diff to current
2006-12-18	hackbard	foo	blob \| commitdiff \| raw \| diff to current
2006-12-17	hackbard	testing foo	blob \| commitdiff \| raw \| diff to current
2006-12-15	hackbard	pot hopefully ok, doing timestep tests for 450C now ...	blob \| commitdiff \| raw \| diff to current
2006-12-15	hackbard	actually just bullshit ... (added unique tag -> maybe...	blob \| commitdiff \| raw \| diff to current
2006-12-14	hackbard	just foo	blob \| commitdiff \| raw \| diff to current
2006-12-14	hackbard	safety ci	blob \| commitdiff \| raw \| diff to current
2006-12-14	hackbard	new linked list system, still a pain inthe ...	blob \| commitdiff \| raw \| diff to current
2006-12-13	hackbard	basic p control added, virial still needed!	blob \| commitdiff \| raw \| diff to current
2006-12-13	hackbard	safety checkin	blob \| commitdiff \| raw \| diff to current
2006-12-12	hackbard	check_per_bound, comparing real numbers <- problem...	blob \| commitdiff \| raw \| diff to current
2006-12-12	hackbard	fixed 2bp, todo: adjust create lattice, then go for 3bp	blob \| commitdiff \| raw \| diff to current
2006-12-12	hackbard	safety checkin	blob \| commitdiff \| raw \| diff to current
2006-12-11	hackbard	scaling to fs, angstrom, amu done, probs with velocity...	blob \| commitdiff \| raw \| diff to current
2006-12-11	hackbard	compiler probs ?!? bc check ... (working with gcc-3.4)	blob \| commitdiff \| raw \| diff to current
2006-12-11	hackbard	bc check probs	blob \| commitdiff \| raw \| diff to current
2006-12-11	hackbard	security checkin	blob \| commitdiff \| raw \| diff to current
2006-12-10	hackbard	mods to corect 3bp derivative, still segfaulting ...	blob \| commitdiff \| raw \| diff to current
2006-12-10	hackbard	nearly finished 3bp tersoff routine (2bp post needs...	blob \| commitdiff \| raw \| diff to current
2006-12-08	hackbard	dist vectors changed, lj and ho forces adjusted, tersof...	blob \| commitdiff \| raw \| diff to current
2006-12-07	hackbard	more tersoff changes, still a mess!	blob \| commitdiff \| raw \| diff to current
2006-12-06	hackbard	need sleep, continue debugging soon!	blob \| commitdiff \| raw \| diff to current
2006-12-05	hackbard	func2b is now again real func2b ... still -> nan! :/	blob \| commitdiff \| raw \| diff to current
2006-12-05	hackbard	some bugfixes ... com'on	blob \| commitdiff \| raw \| diff to current
2006-12-04	hackbard	no segfaulst anymore BUT take care, definetly calculati...	blob \| commitdiff \| raw \| diff to current
2006-12-04	hackbard	added 2bp post function .. this is getting sick!	blob \| commitdiff \| raw \| diff to current
2006-12-03	hackbard	tests ...	blob \| commitdiff \| raw \| diff to current
2006-12-01	hackbard	ready for tersoff 3bp debugging	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	vel scaling issues, tersoff still segfaulting!	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	testing	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	neighbourk fix	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	into the tersoff potential	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	vel scaling fixed/changed	blob \| commitdiff \| raw \| diff to current
2006-11-30	hackbard	testing	blob \| commitdiff \| raw \| diff to current
2006-11-29	hackbard	fixed create_lattice routine	blob \| commitdiff \| raw \| diff to current
2006-11-29	hackbard	more foo	blob \| commitdiff \| raw \| diff to current
2006-11-29	hackbard	more updates -> testing	blob \| commitdiff \| raw \| diff to current
2006-11-29	hackbard	security ci	blob \| commitdiff \| raw \| diff to current
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