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

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

2010-10-14	hackbard	oups, forgot the basis trafo stuff	blob \| commitdiff \| raw
2010-05-20	hackbard	introduced crt type 2 (initial diplacement vector for...	blob \| commitdiff \| raw \| diff to current
2010-05-19	hackbard	completed crt implementation	blob \| commitdiff \| raw \| diff to current
2010-05-18	hackbard	started with crt ...	blob \| commitdiff \| raw \| diff to current
2009-09-11	hackbard	added msd calc + 11x constraints as ifdef	blob \| commitdiff \| raw \| diff to current
2009-08-17	hackbard	added offset feature	blob \| commitdiff \| raw \| diff to current
2009-08-17	hackbard	QUENCH feature (well, or sth like that ...)	blob \| commitdiff \| raw \| diff to current
2009-07-29	hackbard	fixed attrr region + ifdef'ed constraints along 110...	blob \| commitdiff \| raw \| diff to current
2009-06-13	hackbard	removed tersoff 1bp function, added PDEBUG define,...	blob \| commitdiff \| raw \| diff to current
2009-01-28	hackbard	added del_atoms, playing with Ef calc, some more TODO	blob \| commitdiff \| raw \| diff to current
2008-12-17	hackbard	cleaned partial lattice create + added defect feature...	blob \| commitdiff \| raw \| diff to current
2008-11-11	hackbard	security checkin: fixes to lattice stage, px py pz...	blob \| commitdiff \| raw \| diff to current
2008-11-07	hackbard	added partition support in create_lattice function	blob \| commitdiff \| raw \| diff to current
2008-11-04	hackbard	PTHREADS printf, made neighbour index thread safe,...	blob \| commitdiff \| raw \| diff to current
2008-10-19	hackbard	forgot to free the atom mutex	blob \| commitdiff \| raw \| diff to current
2008-10-16	hackbard	pthredas working now (by partitioning atoms into count...	blob \| commitdiff \| raw \| diff to current
2008-10-08	hackbard	pthreads implemented (fucking slow!)	blob \| commitdiff \| raw \| diff to current
2008-10-02	hackbard	pthreads -> albe fast (beginning)	blob \| commitdiff \| raw \| diff to current
2008-09-26	hackbard	pthread imp started for orig albe (more easier in the...	blob \| commitdiff \| raw \| diff to current
2008-09-26	hackbard	io thread needed for visual atom call! changed.	blob \| commitdiff \| raw \| diff to current
2008-09-25	hackbard	added pthreads (for io only by now) + refresh screen...	blob \| commitdiff \| raw \| diff to current
2008-09-09	hackbard	introduced process_neighbours function	blob \| commitdiff \| raw \| diff to current
2008-09-01	hackbard	introduced lowmem lists	blob \| commitdiff \| raw \| diff to current
2008-09-01	hackbard	fixed static lists + first work on lowmem lists	blob \| commitdiff \| raw \| diff to current
2008-08-31	hackbard	first attempts: parallel, albe_fast. fpu_ctrl. cleaned...	blob \| commitdiff \| raw \| diff to current
2008-08-21	hackbard	timestep -> tau	blob \| commitdiff \| raw \| diff to current
2008-08-21	hackbard	introduced time constant in scaling methods	blob \| commitdiff \| raw \| diff to current
2008-08-18	hackbard	corrected a tab	blob \| commitdiff \| raw \| diff to current
2008-08-18	hackbard	insert mixed atoms feature added (will be renamed an...	blob \| commitdiff \| raw \| diff to current
2008-08-18	hackbard	modified runmd scripts + added pressure debug line...	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
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