| 2008-10-19 |
hackbard | forgot to free the atom mutex |
blob | commitdiff | raw |
| 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 |
| 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 |
| next |
projects / physik / posic.git / history