Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecated1b1962e505d7100913998b4…

Mar 6 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9598 f3b2605a-c512-4ea7…
d296cb9eb106
·pscrozi on Mar 6 2013, 22:33.
Optimizations to kspace_style MSM, including improving the single-core…
ed72c6c5ae87
·pscrozi on Mar 6 2013, 22:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9596 f3b2605a-c512-4ea7…
a3d29c1665c5
·pscrozi on Mar 6 2013, 20:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9595 f3b2605a-c512-4ea7…
70fbc16e7da8
·sjplimp on Mar 6 2013, 18:42.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9590 f3b2605a-c512-4ea7…
72c9d2d11f04
·sjplimp on Mar 6 2013, 18:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9589 f3b2605a-c512-4ea7…
f611f9a58f6e
·sjplimp on Mar 6 2013, 18:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9588 f3b2605a-c512-4ea7…
5404f3c1b557
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9587 f3b2605a-c512-4ea7…
db2aafd8f46e
·sjplimp on Mar 6 2013, 18:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9586 f3b2605a-c512-4ea7…
dfd6d4b943bd
·sjplimp on Mar 6 2013, 18:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9585 f3b2605a-c512-4ea7…
986c317c5d55
·sjplimp on Mar 6 2013, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9583 f3b2605a-c512-4ea7…
18a04f2c5c8f
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9582 f3b2605a-c512-4ea7…
ead9fe70299a
·sjplimp on Mar 6 2013, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9581 f3b2605a-c512-4ea7…
adb129fe991d
·sjplimp on Mar 6 2013, 17:44.
Merge remote branch 'lammps-ro/master' into lammps-icms
6a7392d497f1
·Axel Kohlmeyer on Mar 6 2013, 12:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9580 f3b2605a-c512-4ea7…
f4b458219d63
·sjplimp on Mar 6 2013, 01:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9579 f3b2605a-c512-4ea7…
df0ad75e6b15
·sjplimp on Mar 6 2013, 01:24.

Mar 5 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9578 f3b2605a-c512-4ea7…
fd612bb39329
·sjplimp on Mar 5 2013, 22:15.
bugfix from rolf
052c06dd11a8
·Axel Kohlmeyer on Mar 5 2013, 19:30.
fix author attribution
556facf70745
·Axel Kohlmeyer on Mar 5 2013, 13:25.
Merge remote branch 'lammps-ro/master' into lammps-icms
115df8a11649
·Axel Kohlmeyer on Mar 5 2013, 13:25.
add /omp version of lj/cut/tip4p/cut
4be41208c17c
·Axel Kohlmeyer on Mar 5 2013, 11:02.
fix up permissions
ceec8056fd3d
·Axel Kohlmeyer on Mar 5 2013, 09:53.
rename lj/cut/coul/cut/tip4p to lj/cut/tip4p/cut
872f4707451c
·Axel Kohlmeyer on Mar 5 2013, 09:52.
added pair style lj/cut/coul/cut/tip4p by wayne mitchell
4276fda7efb2
·Axel Kohlmeyer on Mar 5 2013, 09:45.
workaround for Atom class member dereference segfaults
eeca2c894f76
·Axel Kohlmeyer on Mar 5 2013, 08:10.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9575 f3b2605a-c512-4ea7…
28bcd038af48
·sjplimp on Mar 5 2013, 01:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9572 f3b2605a-c512-4ea7…
1fe23b30417a
·sjplimp on Mar 5 2013, 01:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9569 f3b2605a-c512-4ea7…
d4b33beba9ff
·sjplimp on Mar 5 2013, 01:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9568 f3b2605a-c512-4ea7…
b116401f4da2
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9567 f3b2605a-c512-4ea7…
a746d1ce48c6
·sjplimp on Mar 5 2013, 01:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9566 f3b2605a-c512-4ea7…
a5c6bfb1c587
·sjplimp on Mar 5 2013, 00:09.

Mar 4 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9563 f3b2605a-c512-4ea7…
561b3086f8fb
·sjplimp on Mar 4 2013, 22:43.
Removed reax/c time-averaging. Replaced integers with chemical symbols in…
cc237b52a6d1
·athomps on Mar 4 2013, 19:43.
reorder members for better alignment
b5b99ff5798d
·Axel Kohlmeyer on Mar 4 2013, 17:57.
reintroduce changes by steve
13433cf6744a
·Axel Kohlmeyer on Mar 4 2013, 17:57.

Mar 3 2013

small tweak to aid the compiler
33654cc10338
·Axel Kohlmeyer on Mar 3 2013, 01:51.
add new pair style that can handle individual pairs of atoms
c146857aee20
·Axel Kohlmeyer on Mar 3 2013, 01:51.

Mar 1 2013

include lj/long/coul/long versions with respa support
73d3ce64072a
·Axel Kohlmeyer on Mar 1 2013, 23:24.
bugfix for hybrid atom style bug
180144344415
·Axel Kohlmeyer on Mar 1 2013, 23:19.

Feb 26 2013

fix stupid bug reported by rolf
60f67d9fe925
·Axel Kohlmeyer on Feb 26 2013, 16:16.
Merge remote branch 'lammps-ro/master' into lammps-icms
fb5e2d81ff1c
·Axel Kohlmeyer on Feb 26 2013, 14:28.
Fixed clashes between #define constants in header files
538bd16793ed
·athomps on Feb 26 2013, 01:02.

Feb 25 2013

more files to ignore
62a1f390d653
·Axel Kohlmeyer on Feb 25 2013, 16:51.
allow kspace to be run less frequently than outer pair
4ee921504e95
·Axel Kohlmeyer on Feb 25 2013, 16:44.
cleanup
dd5c4ba1a58a
·Axel Kohlmeyer on Feb 25 2013, 12:14.

Feb 24 2013

remove redundant code
056f83db2d53
·Axel Kohlmeyer on Feb 24 2013, 14:56.

Feb 23 2013

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
abe2cf11a6cc
·Axel Kohlmeyer on Feb 23 2013, 18:31.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
03ffeb1bb4d1
·Axel Kohlmeyer on Feb 23 2013, 18:29.
respa cannot handle 1 level. fix output of levels.
ceaebc68a8c6
·Axel Kohlmeyer on Feb 23 2013, 18:28.
complete the implementation of respa/omp. tested ok.
d2fef46fb3a0
·Axel Kohlmeyer on Feb 23 2013, 18:27.

Feb 22 2013

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9553 f3b2605a-c512-4ea7…
7610df8dab5d
·sjplimp on Feb 22 2013, 16:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9549 f3b2605a-c512-4ea7…
b578b548335d
·sjplimp on Feb 22 2013, 16:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9548 f3b2605a-c512-4ea7…
819ea6709a8d
·sjplimp on Feb 22 2013, 16:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9546 f3b2605a-c512-4ea7…
2e1dd0f24bdc
·sjplimp on Feb 22 2013, 15:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9544 f3b2605a-c512-4ea7…
16cc21464734
·sjplimp on Feb 22 2013, 00:36.

Feb 21 2013

Merge remote branch 'lammps-ro/master' into lammps-icms
a4699e7f9afd
·Axel Kohlmeyer on Feb 21 2013, 15:10.

Feb 20 2013

prepare to add support for respa/omp. compiles but non-functional
ba8c0bb5bc24
·Axel Kohlmeyer on Feb 20 2013, 22:11.
Merge branch 'lammps-icms' of git://git.icms.temple.edu/lammps-icms into lammps…
9fcf525c40e9
·Axel Kohlmeyer on Feb 20 2013, 20:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9543 f3b2605a-c512-4ea7…
bc793177a39e
·sjplimp on Feb 20 2013, 16:22.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@9542 f3b2605a-c512-4ea7…
4ff021e8f483
·sjplimp on Feb 20 2013, 16:21.
simplify flag handling in package omp, add new flag
f5dd8af3efbe
·Axel Kohlmeyer on Feb 20 2013, 12:54.
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@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@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 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@9527 f3b2605a-c512-4ea7…
3661bb6c9f96
·sjplimp on Feb 18 2013, 18:38.
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.

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@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
d01f873370bb
·athomps on Feb 15 2013, 22:28.
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@9509 f3b2605a-c512-4ea7…
79410e394fa7
·sjplimp on Feb 15 2013, 18:32.
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@9505 f3b2605a-c512-4ea7…
f732004e85ea
·sjplimp on Feb 15 2013, 00:53.
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@9499 f3b2605a-c512-4ea7…
24bb33b94d4d
·sjplimp on Feb 15 2013, 00:03.