Diffusion lammps (efficient_neuronet) History

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…

Apr 23 2014

include ubuntu compatible makefiles from oleg
f09aaeab643d
·Axel Kohlmeyer on Apr 23 2014, 13:30.

Apr 22 2014

add non-functional soft-core version prototype of lj/sdk/soft
5837a20c07e2
·Axel Kohlmeyer on Apr 22 2014, 22:46.

Apr 21 2014

update .gitignore list
7bd6025f72d3
·Axel Kohlmeyer on Apr 21 2014, 23:23.
add multi-threaded versions of the USER-FEP package
ee041356397a
·Axel Kohlmeyer on Apr 21 2014, 23:17.
reworked USER-FEP code to emit less warnings and be USER-OMP compatible
e04545e26d80
·Axel Kohlmeyer on Apr 21 2014, 23:16.
get rid of compiler warnings when compiling w/o OpenMP
e0256a6447d2
·Axel Kohlmeyer on Apr 21 2014, 21:13.

Apr 19 2014

Merge branch 'lammps-icms' into merge-user-fep
1166a4c75a8f
·Axel Kohlmeyer on Apr 19 2014, 13:15.
eliminate dead code in newly added features
ac5b911e5e4f
·Axel Kohlmeyer on Apr 19 2014, 13:15.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
517a48da9a86
·Axel Kohlmeyer on Apr 19 2014, 13:04.

Apr 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11832 f3b2605a-c512-4ea7…
1cb89996dbdf
·sjplimp on Apr 18 2014, 23:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11831 f3b2605a-c512-4ea7…
01d414a2da55
·sjplimp on Apr 18 2014, 22:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11830 f3b2605a-c512-4ea7…
4fa40b7f36b6
·sjplimp on Apr 18 2014, 22:24.
import USER-FEP package from https://github.com/agiliopadua/compute_fep
69c06791a580
·Axel Kohlmeyer on Apr 18 2014, 20:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11829 f3b2605a-c512-4ea7…
f461504c9398
·sjplimp on Apr 18 2014, 17:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11827 f3b2605a-c512-4ea7…
fa8155cb3162
·sjplimp on Apr 18 2014, 17:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11824 f3b2605a-c512-4ea7…
d0d5c6437c5f
·sjplimp on Apr 18 2014, 16:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11823 f3b2605a-c512-4ea7…
35b51e753d31
·sjplimp on Apr 18 2014, 16:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11820 f3b2605a-c512-4ea7…
d00fe7ee1d80
·sjplimp on Apr 18 2014, 16:07.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11819 f3b2605a-c512-4ea7…
576b75e0a1c5
·sjplimp on Apr 18 2014, 16:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11818 f3b2605a-c512-4ea7…
257f5b6c2d6d
·sjplimp on Apr 18 2014, 15:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11815 f3b2605a-c512-4ea7…
d58ddc31dafc
·sjplimp on Apr 18 2014, 14:48.
some more dead code removal. number of warnings getting small now
ee04f975b3da
·Axel Kohlmeyer on Apr 18 2014, 14:35.
more cleanup
6d774e6d8ba0
·Axel Kohlmeyer on Apr 18 2014, 12:35.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e93e800f8146
·Axel Kohlmeyer on Apr 18 2014, 12:32.
a few more styles that should be affected by maxatom=0 by default
6763c4a230a5
·Axel Kohlmeyer on Apr 18 2014, 11:43.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
6aacfb3d72a7
·Axel Kohlmeyer on Apr 18 2014, 03:27.

Apr 17 2014

fix bug with atom style variables on systems with empty domains
ef14257d368d
·Axel Kohlmeyer on Apr 17 2014, 23:35.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11811 f3b2605a-c512-4ea7…
0579e4af04d4
·sjplimp on Apr 17 2014, 19:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11807 f3b2605a-c512-4ea7…
63bf83c6dfba
·sjplimp on Apr 17 2014, 18:45.
fix auto-replace and array bounds bugs
7fb222c4c820
·Axel Kohlmeyer on Apr 17 2014, 14:05.
more dead code removal and one bugfix
b61d2117c03c
·Axel Kohlmeyer on Apr 17 2014, 12:57.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e51c613dfa0c
·Axel Kohlmeyer on Apr 17 2014, 12:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11803 f3b2605a-c512-4ea7…
070bdbb94a24
·sjplimp on Apr 17 2014, 01:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11802 f3b2605a-c512-4ea7…
b46ec2206e7a
·sjplimp on Apr 17 2014, 01:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11801 f3b2605a-c512-4ea7…
a615914030d9
·sjplimp on Apr 17 2014, 01:20.
synchronize colvars library with github sources
424c8c98546e
·Axel Kohlmeyer on Apr 17 2014, 00:11.

Apr 16 2014

fix bug due to uninitialized variable in LAMMPS proxy class
b5340cc6f661
·Axel Kohlmeyer on Apr 16 2014, 23:54.
next batch of unused variable removal
9374001aadd4
·Axel Kohlmeyer on Apr 16 2014, 22:36.
some more cleanups based on warnings from newer gcc
492e027896e6
·Axel Kohlmeyer on Apr 16 2014, 21:53.
ifdef out currently unused code
712c21028de3
·Axel Kohlmeyer on Apr 16 2014, 13:06.
more cleanups
30ef2380c539
·Axel Kohlmeyer on Apr 16 2014, 13:06.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
bdb5f6592a37
·Axel Kohlmeyer on Apr 16 2014, 12:54.
import write_dump support for cfg style dumps
2d1f5f3ffb06
·Axel Kohlmeyer on Apr 16 2014, 02:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11799 f3b2605a-c512-4ea7…
42bb280cf9f0
·sjplimp on Apr 16 2014, 01:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11798 f3b2605a-c512-4ea7…
2d77df2ec297
·sjplimp on Apr 16 2014, 01:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11797 f3b2605a-c512-4ea7…
bcd91423db61
·sjplimp on Apr 16 2014, 01:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11796 f3b2605a-c512-4ea7…
207832a8b4c3
·sjplimp on Apr 16 2014, 01:20.

Apr 15 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11795 f3b2605a-c512-4ea7…
9807630aa9eb
·sjplimp on Apr 15 2014, 23:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11794 f3b2605a-c512-4ea7…
9dd1fbc2d6f0
·sjplimp on Apr 15 2014, 19:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11793 f3b2605a-c512-4ea7…
2fb901929b69
·sjplimp on Apr 15 2014, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11792 f3b2605a-c512-4ea7…
121e237acd8f
·sjplimp on Apr 15 2014, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11791 f3b2605a-c512-4ea7…
1ffcc7ff8b07
·sjplimp on Apr 15 2014, 17:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11789 f3b2605a-c512-4ea7…
1fac1d41fa78
·sjplimp on Apr 15 2014, 17:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11788 f3b2605a-c512-4ea7…
3e291aca3d74
·sjplimp on Apr 15 2014, 17:17.

Apr 14 2014

replace deprecated APIs for their MPI-2 version
59c51a13c639
·Axel Kohlmeyer on Apr 14 2014, 01:51.
adjust warning level flags for gcc
609afe4eba4b
·Axel Kohlmeyer on Apr 14 2014, 01:50.

Apr 13 2014

reinstate overly eager deletion of variables. this one had side effects.
d23d9599e0e9
·Axel Kohlmeyer on Apr 13 2014, 21:22.
forgot plain EAM, which has a different loop
3969513c4276
·Axel Kohlmeyer on Apr 13 2014, 20:49.
fix bug in install script for USER-CUDA after moving pppm/old
3aa1bb022574
·Axel Kohlmeyer on Apr 13 2014, 20:29.
handle parenthesis to signal assigment warning for manybody potentials
4b2476a4fd7f
·Axel Kohlmeyer on Apr 13 2014, 20:29.
adjust warnings to disable warnings we won't fix (for now)
64b1cdffe733
·Axel Kohlmeyer on Apr 13 2014, 17:39.
more dead code removal
35870e58b130
·Axel Kohlmeyer on Apr 13 2014, 17:38.
only pppm/cuda uses pppm/old. move it to USER-CUDA
bb18537142c2
·Axel Kohlmeyer on Apr 13 2014, 17:29.
class member gpulist is not used in GPU pair styles.
2210549382d7
·Axel Kohlmeyer on Apr 13 2014, 17:14.
another set of dead code removal
5f4db57b19c4
·Axel Kohlmeyer on Apr 13 2014, 04:03.
fix replicate bug, when not all settings were copied
5dd6787d0cdd
·Axel Kohlmeyer on Apr 13 2014, 03:04.
remove debug code and dead code
7e7bfedc22ec
·Axel Kohlmeyer on Apr 13 2014, 02:37.
remove more dead code
3383630daae1
·Axel Kohlmeyer on Apr 13 2014, 02:24.

Apr 12 2014

spelling fix
d7bbb795fff0
·Axel Kohlmeyer on Apr 12 2014, 18:44.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a350abf66686
·Axel Kohlmeyer on Apr 12 2014, 18:40.
remove even more unused variables and have consistent initialization
323e3075c413
·Axel Kohlmeyer on Apr 12 2014, 18:39.
Merge remote branch 'lammps-ro/master' into lammps-icms
c6992e85030a
·Axel Kohlmeyer on Apr 12 2014, 16:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11783 f3b2605a-c512-4ea7…
608c01bb8de1
·sjplimp on Apr 12 2014, 01:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11781 f3b2605a-c512-4ea7…
631aa15a321b
·sjplimp on Apr 12 2014, 01:35.
better diagnostic output for bonds/atom and alike
c3e8623608b1
·Axel Kohlmeyer on Apr 12 2014, 00:19.
remove dead code
c6f92bf19dc6
·Axel Kohlmeyer on Apr 12 2014, 00:00.
support alternate form of extra bond/angle/... per atom
5c0ce72dee0c
·Axel Kohlmeyer on Apr 12 2014, 00:00.

Apr 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11780 f3b2605a-c512-4ea7…
8871abb708f5
·sjplimp on Apr 11 2014, 22:23.
makefiles for BGQ
3ec9862f6f7e
·Jeff Hammond / Axel Kohlmeyer on Apr 11 2014, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11777 f3b2605a-c512-4ea7…
09168613150e
·sjplimp on Apr 11 2014, 16:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11775 f3b2605a-c512-4ea7…
1b6af8196fc1
·sjplimp on Apr 11 2014, 16:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11774 f3b2605a-c512-4ea7…
9065c2c61291
·sjplimp on Apr 11 2014, 16:29.
implement changes that follow the equivalent files in upstream
4d46b70ccea8
·Axel Kohlmeyer on Apr 11 2014, 13:01.
Merge remote branch 'lammps-ro/master' into lammps-icms
00a141d5ce10
·Axel Kohlmeyer on Apr 11 2014, 12:22.
bugfix and some cleanups
9655351ef82b
·Axel Kohlmeyer on Apr 11 2014, 12:15.
some more cleanup to silence compiler warnings
b6042b1585b9
·Axel Kohlmeyer on Apr 11 2014, 12:15.
more cleanup changes
0023b06acfbc
·Axel Kohlmeyer on Apr 11 2014, 12:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11770 f3b2605a-c512-4ea7…
7141b812c299
·sjplimp on Apr 11 2014, 01:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11768 f3b2605a-c512-4ea7…
7e30710d5d36
·sjplimp on Apr 11 2014, 01:00.

Apr 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11767 f3b2605a-c512-4ea7…
40f2d71adb4a
·sjplimp on Apr 10 2014, 22:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11766 f3b2605a-c512-4ea7…
0343052dc97d
·sjplimp on Apr 10 2014, 22:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11765 f3b2605a-c512-4ea7…
e6edae391699
·sjplimp on Apr 10 2014, 21:20.
silence some more compiler warnings
c5af763730fb
·Axel Kohlmeyer on Apr 10 2014, 19:42.
fix bug in single() method of pair style lj/cut/coul/dsf
05b069e22102
·Axel Kohlmeyer on Apr 10 2014, 18:21.
various little cleanups to silence compiler warnings
5fcfc9f575fc
·Axel Kohlmeyer on Apr 10 2014, 18:21.
Merge remote branch 'lammps-ro/master' into lammps-icms
5bb50f88412a
·Axel Kohlmeyer on Apr 10 2014, 13:24.
improve documentation for fix gcmc
37a7e805b5d1
·Axel Kohlmeyer on Apr 10 2014, 11:18.

Apr 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11763 f3b2605a-c512-4ea7…
4c7099516540
·sjplimp on Apr 9 2014, 21:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11762 f3b2605a-c512-4ea7…
323a458de930
·sjplimp on Apr 9 2014, 21:48.
Removed redundant class variables
d94811f0e82e
·stamoor on Apr 9 2014, 19:34.

lammps/srcefficient_neuronetaf85b837036b13e51287bf3…

Apr 23 2014

Apr 22 2014

Apr 21 2014

Apr 19 2014

Apr 18 2014

Apr 17 2014

Apr 16 2014

Apr 15 2014

Apr 14 2014

Apr 13 2014

Apr 12 2014

Apr 11 2014

Apr 10 2014

Apr 9 2014

lammps/src
efficient_neuronetaf85b837036b13e51287bf3…