Diffusion lammps (lammm-master-deprecated) History

History
lammm-master-deprecateda6b7299ddc2b996353886ec…

Feb 20 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
3db16649e93b
·Axel Kohlmeyer on Feb 20 2013, 12:53.

Feb 19 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9541 f3b2605a-c512-4ea7…
1a354ef5f5a1
·sjplimp on Feb 19 2013, 21:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9539 f3b2605a-c512-4ea7…
9ce98fc181a7
·sjplimp on Feb 19 2013, 21:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9538 f3b2605a-c512-4ea7…
2377ef95256a
·sjplimp on Feb 19 2013, 21:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9537 f3b2605a-c512-4ea7…
42d3a1f4ff20
·sjplimp on Feb 19 2013, 21:08.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9536 f3b2605a-c512-4ea7…
53e4dca811bc
·sjplimp on Feb 19 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9535 f3b2605a-c512-4ea7…
a18d1163c2c2
·sjplimp on Feb 19 2013, 17:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9534 f3b2605a-c512-4ea7…
28cd1e1af623
·sjplimp on Feb 19 2013, 17:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9533 f3b2605a-c512-4ea7…
bb9a46af64d1
·sjplimp on Feb 19 2013, 16:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9532 f3b2605a-c512-4ea7…
9a3f8a7a8984
·sjplimp on Feb 19 2013, 16:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9531 f3b2605a-c512-4ea7…
77f659a359b4
·sjplimp on Feb 19 2013, 16:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9530 f3b2605a-c512-4ea7…
6ce35d3003d2
·sjplimp on Feb 19 2013, 16:01.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
e80560554b5c
·Axel Kohlmeyer on Feb 19 2013, 13:19.
Merge remote branch 'lammps-ro/master' into lammps-icms
9c141ded2475
·Axel Kohlmeyer on Feb 19 2013, 13:17.
remove collisions with definitions of vflag in fix classes
8dcefdcba139
·Axel Kohlmeyer on Feb 19 2013, 13:13.

Feb 18 2013

allocate storage for one more atom, so we can have a dummy atom in neighbor…
558c801d9298
·Axel Kohlmeyer on Feb 18 2013, 20:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9528 f3b2605a-c512-4ea7…
adac9a654836
·sjplimp on Feb 18 2013, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9527 f3b2605a-c512-4ea7…
3661bb6c9f96
·sjplimp on Feb 18 2013, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9525 f3b2605a-c512-4ea7…
c3091aeaaca7
·sjplimp on Feb 18 2013, 18:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9524 f3b2605a-c512-4ea7…
f24bd36fe553
·sjplimp on Feb 18 2013, 18:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9523 f3b2605a-c512-4ea7…
be4a5a8e54a8
·sjplimp on Feb 18 2013, 17:01.
remove failed attempt to implement a no-reduction multi-threaded style
f75099c6084f
·Axel Kohlmeyer on Feb 18 2013, 11:25.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
efd085796ea0
·Axel Kohlmeyer on Feb 18 2013, 11:24.

Feb 16 2013

move stuff out of the global namespace to reduce clash with rpc headers
7c00ef95fc5f
·Axel Kohlmeyer on Feb 16 2013, 21:13.
don't pollute the global namespace with custom typedefs
620fd8b7df28
·Axel Kohlmeyer on Feb 16 2013, 21:11.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
7b25847ee571
·Axel Kohlmeyer on Feb 16 2013, 12:25.

Feb 15 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9521 f3b2605a-c512-4ea7…
338414b47439
·sjplimp on Feb 15 2013, 23:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9520 f3b2605a-c512-4ea7…
2b3715027877
·sjplimp on Feb 15 2013, 23:26.
some tricks to make sure arrays are cleared properly and threaded neighbor list…
238345f0be18
·Axel Kohlmeyer on Feb 15 2013, 23:23.
bugfix
1e655c5b7f90
·Axel Kohlmeyer on Feb 15 2013, 22:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9518 f3b2605a-c512-4ea7…
811e40afeeed
·sjplimp on Feb 15 2013, 22:54.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
e51ec4aab672
·Axel Kohlmeyer on Feb 15 2013, 22:50.
add OpenMP pair style without newton's 3rd law.
a7d8b1b15b99
·Axel Kohlmeyer on Feb 15 2013, 22:47.
Added fix_species
edc95d9a4202
·athomps on Feb 15 2013, 22:29.
Added fix_species
c9bf647a4a31
·athomps on Feb 15 2013, 22:29.
Added fix_species
d01f873370bb
·athomps on Feb 15 2013, 22:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9514 f3b2605a-c512-4ea7…
7ebdff8bbd7d
·sjplimp on Feb 15 2013, 22:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9513 f3b2605a-c512-4ea7…
2654f6289147
·sjplimp on Feb 15 2013, 21:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9512 f3b2605a-c512-4ea7…
00be9561e711
·sjplimp on Feb 15 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9511 f3b2605a-c512-4ea7…
f57f4ec774c5
·sjplimp on Feb 15 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9510 f3b2605a-c512-4ea7…
9befcb50b362
·sjplimp on Feb 15 2013, 18:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9509 f3b2605a-c512-4ea7…
79410e394fa7
·sjplimp on Feb 15 2013, 18:32.
documentation update.
767929acadfa
·Axel Kohlmeyer on Feb 15 2013, 18:21.
Merge remote branch 'lammps-ro/master' into lammps-icms
1466a253d1d6
·Axel Kohlmeyer on Feb 15 2013, 13:43.
fix small bugs. fix rigid/small/omp now works for buckyballs
d08b26b38802
·Axel Kohlmeyer on Feb 15 2013, 11:01.
update intel compiler based makefiles for more recent versions
b30900e507d0
·Axel Kohlmeyer on Feb 15 2013, 11:00.
add /omp version of fix rigid/small. not fully functional.
47c4879d9fdc
·Axel Kohlmeyer on Feb 15 2013, 01:28.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9508 f3b2605a-c512-4ea7…
4a8e4d535248
·sjplimp on Feb 15 2013, 01:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9507 f3b2605a-c512-4ea7…
1c12b60762eb
·sjplimp on Feb 15 2013, 01:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9506 f3b2605a-c512-4ea7…
33e822068106
·sjplimp on Feb 15 2013, 00:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9505 f3b2605a-c512-4ea7…
f732004e85ea
·sjplimp on Feb 15 2013, 00:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9503 f3b2605a-c512-4ea7…
ac05339d9997
·sjplimp on Feb 15 2013, 00:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9502 f3b2605a-c512-4ea7…
ade09a65d49c
·sjplimp on Feb 15 2013, 00:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9501 f3b2605a-c512-4ea7…
f1e8df1041c0
·sjplimp on Feb 15 2013, 00:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9500 f3b2605a-c512-4ea7…
fa5eb19f26f9
·sjplimp on Feb 15 2013, 00:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9499 f3b2605a-c512-4ea7…
24bb33b94d4d
·sjplimp on Feb 15 2013, 00:03.

Feb 14 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9498 f3b2605a-c512-4ea7…
614d5987b255
·sjplimp on Feb 14 2013, 23:43.
Merge remote-tracking branch 'origin/lammps-icms' into lammps-icms
218235c6540f
·Axel Kohlmeyer on Feb 14 2013, 21:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9497 f3b2605a-c512-4ea7…
ef1541ad5b50
·sjplimp on Feb 14 2013, 20:53.
anticipate bugfix from upstream
6c6d95e3f913
·Axel Kohlmeyer on Feb 14 2013, 20:40.
fix makefile for new name of STUBS library
934fd0dddf0f
·Axel Kohlmeyer on Feb 14 2013, 20:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9495 f3b2605a-c512-4ea7…
9c35414f9a3b
·sjplimp on Feb 14 2013, 19:51.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9494 f3b2605a-c512-4ea7…
ceaaa3b48ba3
·sjplimp on Feb 14 2013, 19:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9492 f3b2605a-c512-4ea7…
3029c68fb884
·sjplimp on Feb 14 2013, 18:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9491 f3b2605a-c512-4ea7…
18299e4654b5
·sjplimp on Feb 14 2013, 18:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9490 f3b2605a-c512-4ea7…
fe1a32fa1183
·sjplimp on Feb 14 2013, 18:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9489 f3b2605a-c512-4ea7…
812118deff28
·sjplimp on Feb 14 2013, 17:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9484 f3b2605a-c512-4ea7…
90934f2b3932
·sjplimp on Feb 14 2013, 17:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9482 f3b2605a-c512-4ea7…
d0cfa228b081
·sjplimp on Feb 14 2013, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9481 f3b2605a-c512-4ea7…
3d4a33e7fe80
·sjplimp on Feb 14 2013, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9480 f3b2605a-c512-4ea7…
180c73261985
·sjplimp on Feb 14 2013, 16:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9479 f3b2605a-c512-4ea7…
8f94aa801084
·sjplimp on Feb 14 2013, 16:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9478 f3b2605a-c512-4ea7…
41801fa762fa
·sjplimp on Feb 14 2013, 16:29.
Merge remote branch 'lammps-ro/master' into lammps-icms
cc2e53408b5d
·Axel Kohlmeyer on Feb 14 2013, 13:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9476 f3b2605a-c512-4ea7…
2a614f4523db
·sjplimp on Feb 14 2013, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9475 f3b2605a-c512-4ea7…
3dedd478695f
·sjplimp on Feb 14 2013, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9474 f3b2605a-c512-4ea7…
c6ca9de39808
·sjplimp on Feb 14 2013, 00:02.

Feb 13 2013

lammps-icms will default to fftbench no
2132a45c9a8a
·Axel Kohlmeyer on Feb 13 2013, 21:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9473 f3b2605a-c512-4ea7…
fa24d1db9504
·sjplimp on Feb 13 2013, 19:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9472 f3b2605a-c512-4ea7…
e6caca22d114
·sjplimp on Feb 13 2013, 16:36.
Merge remote branch 'lammps-ro/master' into lammps-icms
3cd3e2febd37
·Axel Kohlmeyer on Feb 13 2013, 13:56.
update of colvars library to version 2013-01-30
354de185b13a
·Axel Kohlmeyer on Feb 13 2013, 11:24.
small optimization
321483a15abd
·Axel Kohlmeyer on Feb 13 2013, 11:09.
some cleanups and minor optimizations
fbbc7308618b
·Axel Kohlmeyer on Feb 13 2013, 08:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9471 f3b2605a-c512-4ea7…
55cb9649a386
·sjplimp on Feb 13 2013, 01:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9470 f3b2605a-c512-4ea7…
6d707ca5ebdb
·sjplimp on Feb 13 2013, 01:47.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9466 f3b2605a-c512-4ea7…
529a4896106d
·sjplimp on Feb 13 2013, 00:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9465 f3b2605a-c512-4ea7…
b040b785e2d2
·sjplimp on Feb 13 2013, 00:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9464 f3b2605a-c512-4ea7…
52b9d7d9b5de
·sjplimp on Feb 13 2013, 00:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9463 f3b2605a-c512-4ea7…
e8e811435230
·sjplimp on Feb 13 2013, 00:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9462 f3b2605a-c512-4ea7…
4d6b9be28c00
·sjplimp on Feb 13 2013, 00:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9461 f3b2605a-c512-4ea7…
687db51a45b7
·sjplimp on Feb 13 2013, 00:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9460 f3b2605a-c512-4ea7…
13a59d2573f5
·sjplimp on Feb 13 2013, 00:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9459 f3b2605a-c512-4ea7…
c521201ea53d
·sjplimp on Feb 13 2013, 00:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9458 f3b2605a-c512-4ea7…
bcab6e829a67
·sjplimp on Feb 13 2013, 00:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9457 f3b2605a-c512-4ea7…
97a23ad84932
·sjplimp on Feb 13 2013, 00:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9456 f3b2605a-c512-4ea7…
9670e3d6eb7e
·sjplimp on Feb 13 2013, 00:11.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9455 f3b2605a-c512-4ea7…
5c635d47eb14
·sjplimp on Feb 13 2013, 00:09.

Feb 12 2013

little performance tweak
652c2c6135c8
·Axel Kohlmeyer on Feb 12 2013, 23:51.
add multi-threaded version of PPPM*OMP::make_rho()
bce9d8f14275
·Axel Kohlmeyer on Feb 12 2013, 23:17.