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hackbard [Thu, 28 Dec 2006 14:15:13 +0000 (14:15 +0000)]
bugfix dg of dV_ji,jk
hackbard [Mon, 18 Dec 2006 09:30:22 +0000 (09:30 +0000)]
foo
hackbard [Sun, 17 Dec 2006 01:29:39 +0000 (01:29 +0000)]
testing foo
hackbard [Fri, 15 Dec 2006 15:49:06 +0000 (15:49 +0000)]
pot hopefully ok, doing timestep tests for 450C now ...
hackbard [Fri, 15 Dec 2006 00:41:11 +0000 (00:41 +0000)]
actually just bullshit ... (added unique tag -> maybe symmetry)
hackbard [Thu, 14 Dec 2006 16:52:05 +0000 (16:52 +0000)]
just foo
hackbard [Thu, 14 Dec 2006 13:53:28 +0000 (13:53 +0000)]
sync file added
hackbard [Thu, 14 Dec 2006 13:52:42 +0000 (13:52 +0000)]
safety ci
hackbard [Thu, 14 Dec 2006 00:08:02 +0000 (00:08 +0000)]
init in moldyn now
hackbard [Thu, 14 Dec 2006 00:06:18 +0000 (00:06 +0000)]
new linked list system, still a pain inthe ...
hackbard [Wed, 13 Dec 2006 17:47:42 +0000 (17:47 +0000)]
basic p control added, virial still needed!
hackbard [Wed, 13 Dec 2006 00:37:10 +0000 (00:37 +0000)]
safety checkin
hackbard [Tue, 12 Dec 2006 15:58:40 +0000 (15:58 +0000)]
check_per_bound, comparing real numbers <- problem! think about it!
hackbard [Tue, 12 Dec 2006 14:28:10 +0000 (14:28 +0000)]
fixed 2bp, todo: adjust create lattice, then go for 3bp
hackbard [Tue, 12 Dec 2006 11:50:04 +0000 (11:50 +0000)]
safety checkin
hackbard [Mon, 11 Dec 2006 22:50:51 +0000 (22:50 +0000)]
scaling to fs, angstrom, amu done, probs with velocity scaling!
hackbard [Mon, 11 Dec 2006 16:07:58 +0000 (16:07 +0000)]
compiler probs ?!? bc check ... (working with gcc-3.4)
hackbard [Mon, 11 Dec 2006 16:03:33 +0000 (16:03 +0000)]
bc check probs
hackbard [Mon, 11 Dec 2006 10:19:02 +0000 (10:19 +0000)]
security checkin
hackbard [Sun, 10 Dec 2006 22:44:50 +0000 (22:44 +0000)]
mods to corect 3bp derivative, still segfaulting ...
hackbard [Sun, 10 Dec 2006 04:06:24 +0000 (04:06 +0000)]
nearly finished 3bp tersoff routine (2bp post needs to be done after
that!)
hackbard [Fri, 8 Dec 2006 00:21:15 +0000 (00:21 +0000)]
dist vectors changed, lj and ho forces adjusted, tersoff needs redesign
anyways ... *sigh*
hackbard [Thu, 7 Dec 2006 02:20:27 +0000 (02:20 +0000)]
more tersoff changes, still a mess!
hackbard [Wed, 6 Dec 2006 01:51:41 +0000 (01:51 +0000)]
need sleep, continue debugging soon!
hackbard [Tue, 5 Dec 2006 16:44:36 +0000 (16:44 +0000)]
func2b is now again real func2b ... still -> nan! :/
hackbard [Tue, 5 Dec 2006 15:49:56 +0000 (15:49 +0000)]
some bugfixes ... com'on
hackbard [Tue, 5 Dec 2006 15:48:45 +0000 (15:48 +0000)]
moved functions to header file and made them static inlines
hackbard [Mon, 4 Dec 2006 22:05:23 +0000 (22:05 +0000)]
no segfaulst anymore BUT take care, definetly calculating bullshit
hackbard [Mon, 4 Dec 2006 14:55:02 +0000 (14:55 +0000)]
added 2bp post function .. this is getting sick!
hackbard [Sun, 3 Dec 2006 01:54:29 +0000 (01:54 +0000)]
tests ...
hackbard [Fri, 1 Dec 2006 14:59:08 +0000 (14:59 +0000)]
ready for tersoff 3bp debugging
hackbard [Thu, 30 Nov 2006 23:54:37 +0000 (23:54 +0000)]
vel scaling issues, tersoff still segfaulting!
hackbard [Thu, 30 Nov 2006 20:52:12 +0000 (20:52 +0000)]
testing
hackbard [Thu, 30 Nov 2006 18:53:28 +0000 (18:53 +0000)]
neighbourk fix
hackbard [Thu, 30 Nov 2006 15:55:32 +0000 (15:55 +0000)]
into the tersoff potential
hackbard [Thu, 30 Nov 2006 10:46:08 +0000 (10:46 +0000)]
vel scaling fixed/changed
hackbard [Thu, 30 Nov 2006 08:43:32 +0000 (08:43 +0000)]
testing
hackbard [Wed, 29 Nov 2006 22:00:26 +0000 (22:00 +0000)]
fixed create_lattice routine
hackbard [Wed, 29 Nov 2006 19:10:55 +0000 (19:10 +0000)]
more foo
hackbard [Wed, 29 Nov 2006 16:25:08 +0000 (16:25 +0000)]
more updates -> testing
hackbard [Wed, 29 Nov 2006 15:20:19 +0000 (15:20 +0000)]
security ci
hackbard [Wed, 29 Nov 2006 13:23:18 +0000 (13:23 +0000)]
test
hackbard [Tue, 28 Nov 2006 15:37:00 +0000 (15:37 +0000)]
well, no more segfaults -> now its getting hard to debug ...
hackbard [Tue, 28 Nov 2006 13:34:08 +0000 (13:34 +0000)]
moldyn compiles now .... now go to example sic code!
hackbard [Tue, 28 Nov 2006 13:17:59 +0000 (13:17 +0000)]
still: moldyn.c:1236: error: parse error at end of input - :/
hackbard [Tue, 28 Nov 2006 10:36:04 +0000 (10:36 +0000)]
added sic example code
hackbard [Tue, 28 Nov 2006 10:35:42 +0000 (10:35 +0000)]
more updates, now get the code running .... :/
hackbard [Sun, 26 Nov 2006 23:05:00 +0000 (23:05 +0000)]
more changes ...
hackbard [Sat, 25 Nov 2006 23:09:34 +0000 (23:09 +0000)]
foo
hackbard [Fri, 24 Nov 2006 13:43:15 +0000 (13:43 +0000)]
more changes ...
hackbard [Fri, 24 Nov 2006 12:11:43 +0000 (12:11 +0000)]
finished basic tersoff stuff, now start fixing ... !
hackbard [Thu, 23 Nov 2006 15:20:46 +0000 (15:20 +0000)]
nearly finished tersoff potential ...
hackbard [Wed, 22 Nov 2006 15:23:42 +0000 (15:23 +0000)]
nearly finished tersoff 2 body part and new api
hackbard [Wed, 22 Nov 2006 10:40:07 +0000 (10:40 +0000)]
security ci
hackbard [Tue, 21 Nov 2006 17:35:39 +0000 (17:35 +0000)]
more updates
hackbard [Fri, 17 Nov 2006 10:19:50 +0000 (10:19 +0000)]
began rewrite ...
hackbard [Thu, 17 Aug 2006 15:41:43 +0000 (15:41 +0000)]
more ..
hackbard [Wed, 16 Aug 2006 15:22:32 +0000 (15:22 +0000)]
little more tersoff ...
hackbard [Wed, 16 Aug 2006 14:45:22 +0000 (14:45 +0000)]
some changes
hackbard [Thu, 3 Aug 2006 19:58:16 +0000 (19:58 +0000)]
lj fixes + first lines of tersoff potential
hackbard [Tue, 13 Jun 2006 15:21:37 +0000 (15:21 +0000)]
fixed several stupid mistakes
hackbard [Fri, 12 May 2006 14:58:57 +0000 (14:58 +0000)]
fixed (dank rolf)
hackbard [Fri, 5 May 2006 14:13:58 +0000 (14:13 +0000)]
linked cell list updates (not well working by now!)
hackbard [Wed, 3 May 2006 14:32:27 +0000 (14:32 +0000)]
added Makefile ...
hackbard [Fri, 28 Apr 2006 15:02:29 +0000 (15:02 +0000)]
implemented link cell method, segfaulting by now!
hackbard [Thu, 27 Apr 2006 15:51:06 +0000 (15:51 +0000)]
muss zum c3a ...
hackbard [Wed, 26 Apr 2006 19:03:24 +0000 (19:03 +0000)]
Makefile ok?
hackbard [Tue, 25 Apr 2006 15:15:34 +0000 (15:15 +0000)]
basic linked list / cell method support implemented
hackbard [Wed, 5 Apr 2006 23:16:30 +0000 (23:16 +0000)]
even more testing ...
hackbard [Wed, 5 Apr 2006 18:18:40 +0000 (18:18 +0000)]
lots of mostly small changes ...
hackbard [Tue, 4 Apr 2006 15:08:24 +0000 (15:08 +0000)]
more testing
hackbard [Tue, 4 Apr 2006 10:09:32 +0000 (10:09 +0000)]
checkin before cafeteria visit ;)
hackbard [Mon, 3 Apr 2006 15:56:45 +0000 (15:56 +0000)]
added output everytime a save file is made
hackbard [Mon, 3 Apr 2006 15:48:42 +0000 (15:48 +0000)]
added harmonic potntial + bugfixes + boundings
hackbard [Fri, 31 Mar 2006 15:13:08 +0000 (15:13 +0000)]
testing
hackbard [Thu, 30 Mar 2006 23:56:11 +0000 (23:56 +0000)]
basic integration method and functions added
hackbard [Thu, 30 Mar 2006 19:00:00 +0000 (19:00 +0000)]
lennard jones force
hackbard [Thu, 30 Mar 2006 13:49:53 +0000 (13:49 +0000)]
started potential and force stuff
hackbard [Wed, 29 Mar 2006 16:44:28 +0000 (16:44 +0000)]
started potentials
hackbard [Tue, 28 Mar 2006 15:18:41 +0000 (15:18 +0000)]
nearly finished init stuff (probs with rand function!)
hackbard [Mon, 27 Mar 2006 14:29:07 +0000 (14:29 +0000)]
more mods
hackbard [Mon, 27 Mar 2006 08:55:17 +0000 (08:55 +0000)]
init testing
hackbard [Fri, 24 Mar 2006 19:49:37 +0000 (19:49 +0000)]
initial checkin of the new concept approach
hackbard [Mon, 20 Mar 2006 23:29:00 +0000 (23:29 +0000)]
more testing
hackbard [Mon, 20 Mar 2006 20:50:41 +0000 (20:50 +0000)]
more changes ..
hackbard [Mon, 20 Mar 2006 14:34:19 +0000 (14:34 +0000)]
added cvsignore file, more modifications
hackbard [Mon, 20 Mar 2006 07:52:03 +0000 (07:52 +0000)]
initial checkin
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