| 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 |
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| 2007-03-05 |
hackbard | new structure (skipped 2 inlines) same code! |
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| 2007-03-05 |
hackbard | new src file layout (warning: doesnt compile by now!) |
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| 2007-01-31 |
hackbard | create_lattice fixes, still virial probs ... |
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| 2007-01-26 |
hackbard | pt scaling tests, though pressure estimation still... |
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| 2007-01-25 |
hackbard | nur foo ... |
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| 2007-01-24 |
hackbard | still pressure (+ fixes with cubic lattce and ho potent... |
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| 2007-01-23 |
hackbard | added report system, still messing around with virial... |
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| 2007-01-17 |
hackbard | ... |
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| 2007-01-15 |
hackbard | cleaning + set hook function |
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| 2007-01-12 |
hackbard | still full of bugs ... |
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| 2006-12-28 |
hackbard | bugfix dg of dV_ji,jk |
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| 2006-12-18 |
hackbard | foo |
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| 2006-12-17 |
hackbard | testing foo |
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| 2006-12-15 |
hackbard | pot hopefully ok, doing timestep tests for 450C now ... |
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| 2006-12-15 |
hackbard | actually just bullshit ... (added unique tag -> maybe... |
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| 2006-12-14 |
hackbard | just foo |
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| 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 |
| 2006-11-29 |
hackbard | fixed create_lattice routine |
commit | commitdiff | tree | snapshot |
| 2006-11-29 |
hackbard | more foo |
commit | commitdiff | tree | snapshot |
| 2006-11-29 |
hackbard | more updates -> testing |
commit | commitdiff | tree | snapshot |
| 2006-11-29 |
hackbard | security ci |
commit | commitdiff | tree | snapshot |
| 2006-11-29 |
hackbard | test |
commit | commitdiff | tree | snapshot |
| 2006-11-28 |
hackbard | well, no more segfaults -> now its getting hard to... |
commit | commitdiff | tree | snapshot |
| 2006-11-28 |
hackbard | moldyn compiles now .... now go to example sic code! |
commit | commitdiff | tree | snapshot |
| 2006-11-28 |
hackbard | still: moldyn.c:1236: error: parse error at end of... |
commit | commitdiff | tree | snapshot |
| 2006-11-28 |
hackbard | added sic example code |
commit | commitdiff | tree | snapshot |
| 2006-11-28 |
hackbard | more updates, now get the code running .... :/ |
commit | commitdiff | tree | snapshot |
| 2006-11-26 |
hackbard | more changes ... |
commit | commitdiff | tree | snapshot |
| 2006-11-25 |
hackbard | foo |
commit | commitdiff | tree | snapshot |
| 2006-11-24 |
hackbard | more changes ... |
commit | commitdiff | tree | snapshot |
| 2006-11-24 |
hackbard | finished basic tersoff stuff, now start fixing ... ! |
commit | commitdiff | tree | snapshot |
| 2006-11-23 |
hackbard | nearly finished tersoff potential ... |
commit | commitdiff | tree | snapshot |
| 2006-11-22 |
hackbard | nearly finished tersoff 2 body part and new api |
commit | commitdiff | tree | snapshot |
| 2006-11-22 |
hackbard | security ci |
commit | commitdiff | tree | snapshot |
| 2006-11-21 |
hackbard | more updates |
commit | commitdiff | tree | snapshot |
| 2006-11-17 |
hackbard | began rewrite ... |
commit | commitdiff | tree | snapshot |
| 2006-08-17 |
hackbard | more .. |
commit | commitdiff | tree | snapshot |
| 2006-08-16 |
hackbard | little more tersoff ... |
commit | commitdiff | tree | snapshot |
| 2006-08-16 |
hackbard | some changes |
commit | commitdiff | tree | snapshot |
| 2006-08-03 |
hackbard | lj fixes + first lines of tersoff potential |
commit | commitdiff | tree | snapshot |
| 2006-06-13 |
hackbard | fixed several stupid mistakes |
commit | commitdiff | tree | snapshot |
| 2006-05-12 |
hackbard | fixed (dank rolf) |
commit | commitdiff | tree | snapshot |
| 2006-05-05 |
hackbard | linked cell list updates (not well working by now!) |
commit | commitdiff | tree | snapshot |
| 2006-05-03 |
hackbard | added Makefile ... |
commit | commitdiff | tree | snapshot |
| 2006-04-28 |
hackbard | implemented link cell method, segfaulting by now! |
commit | commitdiff | tree | snapshot |
| 2006-04-27 |
hackbard | muss zum c3a ... |
commit | commitdiff | tree | snapshot |
| 2006-04-26 |
hackbard | Makefile ok? |
commit | commitdiff | tree | snapshot |
| 2006-04-25 |
hackbard | basic linked list / cell method support implemented |
commit | commitdiff | tree | snapshot |
| 2006-04-05 |
hackbard | even more testing ... |
commit | commitdiff | tree | snapshot |
| 2006-04-05 |
hackbard | lots of mostly small changes ... |
commit | commitdiff | tree | snapshot |
| 2006-04-04 |
hackbard | more testing |
commit | commitdiff | tree | snapshot |
| 2006-04-04 |
hackbard | checkin before cafeteria visit ;) |
commit | commitdiff | tree | snapshot |
| 2006-04-03 |
hackbard | added output everytime a save file is made |
commit | commitdiff | tree | snapshot |
| 2006-04-03 |
hackbard | added harmonic potntial + bugfixes + boundings |
commit | commitdiff | tree | snapshot |
| 2006-03-31 |
hackbard | testing |
commit | commitdiff | tree | snapshot |
| 2006-03-30 |
hackbard | basic integration method and functions added |
commit | commitdiff | tree | snapshot |
| 2006-03-30 |
hackbard | lennard jones force |
commit | commitdiff | tree | snapshot |
| 2006-03-30 |
hackbard | started potential and force stuff |
commit | commitdiff | tree | snapshot |
| 2006-03-29 |
hackbard | started potentials |
commit | commitdiff | tree | snapshot |
| 2006-03-28 |
hackbard | nearly finished init stuff (probs with rand function!) |
commit | commitdiff | tree | snapshot |
| 2006-03-27 |
hackbard | more mods |
commit | commitdiff | tree | snapshot |
| 2006-03-27 |
hackbard | init testing |
commit | commitdiff | tree | snapshot |
| 2006-03-24 |
hackbard | initial checkin of the new concept approach |
commit | commitdiff | tree | snapshot |
| 2006-03-20 |
hackbard | more testing |
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