Diffusion lammps (lammm-master-deprecated) History

lammps/src
lammm-master-deprecated9dd1fd29b218a2e2038d4a0…

Sep 27 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9dd1fd29b218
·Axel Kohlmeyer on Sep 27 2014, 12:34.

Sep 26 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12568 f3b2605a-c512-4ea7…
de171dbcc9e5
·sjplimp on Sep 26 2014, 23:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12567 f3b2605a-c512-4ea7…
7b64253516e5
·sjplimp on Sep 26 2014, 23:28.
move old makefile back in place for RPM builds
13d0a3225fa5
·Axel Kohlmeyer on Sep 26 2014, 22:09.
Updated to MacPorts Open MPI 1.4.3
b1c711b508ca
·athomps on Sep 26 2014, 21:51.
Updated to MacPorts Open MPI 1.4.3
8ac96007c031
·athomps on Sep 26 2014, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12564 f3b2605a-c512-4ea7…
8fa22b4037ff
·sjplimp on Sep 26 2014, 21:31.
Fixed memory error in ewald_disp.cpp
e8b64a9080fd
·stamoor on Sep 26 2014, 20:45.
make fix bond/create debug output compatible with -DLAMMPS_BIGBIG
f677ce9cc504
·Axel Kohlmeyer on Sep 26 2014, 19:52.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
2da4e569b5f9
·Axel Kohlmeyer on Sep 26 2014, 19:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12559 f3b2605a-c512-4ea7…
5aedfd41b4c5
·sjplimp on Sep 26 2014, 01:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12556 f3b2605a-c512-4ea7…
07ea6856a45d
·sjplimp on Sep 26 2014, 00:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12555 f3b2605a-c512-4ea7…
a6af1b44d0af
·sjplimp on Sep 26 2014, 00:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12554 f3b2605a-c512-4ea7…
d3598ddb165b
·sjplimp on Sep 26 2014, 00:06.

Sep 25 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12553 f3b2605a-c512-4ea7…
0d9fdf727d86
·sjplimp on Sep 25 2014, 22:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12552 f3b2605a-c512-4ea7…
c7bd80910dec
·sjplimp on Sep 25 2014, 22:13.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12551 f3b2605a-c512-4ea7…
db47095d0cf4
·sjplimp on Sep 25 2014, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12550 f3b2605a-c512-4ea7…
2cd5ac0ce271
·sjplimp on Sep 25 2014, 22:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12549 f3b2605a-c512-4ea7…
256e64887801
·sjplimp on Sep 25 2014, 22:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12548 f3b2605a-c512-4ea7…
59720178d4b7
·sjplimp on Sep 25 2014, 21:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12547 f3b2605a-c512-4ea7…
56c532d58555
·sjplimp on Sep 25 2014, 21:55.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12546 f3b2605a-c512-4ea7…
c720fca727e9
·sjplimp on Sep 25 2014, 21:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12545 f3b2605a-c512-4ea7…
19229e55725b
·sjplimp on Sep 25 2014, 20:32.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12544 f3b2605a-c512-4ea7…
deb5b7c9870d
·sjplimp on Sep 25 2014, 20:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12543 f3b2605a-c512-4ea7…
0dd4b6580fef
·sjplimp on Sep 25 2014, 17:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12542 f3b2605a-c512-4ea7…
dda702c5f952
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12540 f3b2605a-c512-4ea7…
b0861454f53b
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12539 f3b2605a-c512-4ea7…
07e74523384b
·sjplimp on Sep 25 2014, 17:34.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12538 f3b2605a-c512-4ea7…
0928f2338162
·sjplimp on Sep 25 2014, 17:33.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
190974a167ba
·Axel Kohlmeyer on Sep 25 2014, 17:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12537 f3b2605a-c512-4ea7…
f64853170bb6
·sjplimp on Sep 25 2014, 00:14.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12536 f3b2605a-c512-4ea7…
9482ac8cfe75
·sjplimp on Sep 25 2014, 00:04.

Sep 24 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12535 f3b2605a-c512-4ea7…
53467a25ef19
·sjplimp on Sep 24 2014, 23:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12534 f3b2605a-c512-4ea7…
f62127f3739d
·sjplimp on Sep 24 2014, 22:00.
Made line quadratic default and changed backtrack alpha zero check to be more…
463db5858357
·athomps on Sep 24 2014, 02:45.
Fixing a bug in the kspace error estimator for triclinic systems
f45b388d1246
·stamoor on Sep 24 2014, 00:29.

Sep 23 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12528 f3b2605a-c512-4ea7…
5d12a8fdab22
·sjplimp on Sep 23 2014, 21:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12526 f3b2605a-c512-4ea7…
80c69a6b5654
·sjplimp on Sep 23 2014, 15:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12525 f3b2605a-c512-4ea7…
c560bd50cb16
·sjplimp on Sep 23 2014, 01:41.

Sep 20 2014

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3091e09e61c6
·Axel Kohlmeyer on Sep 20 2014, 19:20.

Sep 19 2014

Updated diagnostics
45223c452c84
·athomps on Sep 19 2014, 00:44.
Changed comment
7ce215970b4b
·athomps on Sep 19 2014, 00:41.

Sep 18 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12521 f3b2605a-c512-4ea7…
d76a263ca74b
·sjplimp on Sep 18 2014, 17:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7…
bda37b7c9873
·sjplimp on Sep 18 2014, 16:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12515 f3b2605a-c512-4ea7…
4ce180cbe2a3
·sjplimp on Sep 18 2014, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7…
39373a22c3b5
·sjplimp on Sep 18 2014, 16:24.
Merge remote branch 'lammps-ro/master' into lammps-icms
715e7685edcf
·Axel Kohlmeyer on Sep 18 2014, 15:52.

Sep 17 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12512 f3b2605a-c512-4ea7…
e17948a19545
·sjplimp on Sep 17 2014, 19:23.

Sep 13 2014

align help output format
fab9de6eb305
·Axel Kohlmeyer on Sep 13 2014, 15:09.
remove some dead code in SNAP potential implementation
3bc2efeb8c4d
·Axel Kohlmeyer on Sep 13 2014, 15:07.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
13985955e6a2
·Axel Kohlmeyer on Sep 13 2014, 14:56.
import r-RESPA compatible fix recenter from mailing list
71993fa5c7a7
·Axel Kohlmeyer on Sep 13 2014, 10:35.
Added LAMMPS headers
ed9b130d6e40
·athomps on Sep 13 2014, 00:55.

Sep 12 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12507 f3b2605a-c512-4ea7…
16864ce4e3c7
·sjplimp on Sep 12 2014, 19:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12506 f3b2605a-c512-4ea7…
4dd1b4fc6534
·sjplimp on Sep 12 2014, 19:28.
Merge remote branch 'lammps-ro/master' into lammps-icms
e162a292b673
·Axel Kohlmeyer on Sep 12 2014, 13:07.

Sep 11 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12500 f3b2605a-c512-4ea7…
1ddb9ab14852
·sjplimp on Sep 11 2014, 22:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7…
fb2b228ac987
·sjplimp on Sep 11 2014, 17:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12481 f3b2605a-c512-4ea7…
853f7be70012
·sjplimp on Sep 11 2014, 16:52.
Merge remote branch 'lammps-ro/master' into lammps-icms
052a84f81d89
·Axel Kohlmeyer on Sep 11 2014, 13:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7…
90d0ffba1dd2
·sjplimp on Sep 11 2014, 00:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12479 f3b2605a-c512-4ea7…
7f8da4e667ec
·sjplimp on Sep 11 2014, 00:16.

Sep 10 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12478 f3b2605a-c512-4ea7…
5c05d14e2133
·sjplimp on Sep 10 2014, 23:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12477 f3b2605a-c512-4ea7…
502ef1f93143
·sjplimp on Sep 10 2014, 23:06.
additional bugfix from daniel
d76e6e3fa34f
·Axel Kohlmeyer on Sep 10 2014, 22:46.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7…
58a11d6bc2eb
·sjplimp on Sep 10 2014, 21:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12471 f3b2605a-c512-4ea7…
0eb045dc6a13
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12470 f3b2605a-c512-4ea7…
fbad8a44c845
·sjplimp on Sep 10 2014, 19:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12469 f3b2605a-c512-4ea7…
8a80ed461256
·sjplimp on Sep 10 2014, 19:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12468 f3b2605a-c512-4ea7…
7728d4ecea7a
·sjplimp on Sep 10 2014, 18:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12467 f3b2605a-c512-4ea7…
2424201d960f
·sjplimp on Sep 10 2014, 18:30.
reintroduce 64-bit pointer bugfix for compute voronoi/atom
3267e4972230
·Axel Kohlmeyer on Sep 10 2014, 15:06.
Merge remote branch 'lammps-ro/master' into lammps-icms
d52414244a9c
·Axel Kohlmeyer on Sep 10 2014, 14:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7…
f864979cdd9b
·sjplimp on Sep 10 2014, 00:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12459 f3b2605a-c512-4ea7…
f9684d5076fc
·sjplimp on Sep 10 2014, 00:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7…
4374200a779e
·sjplimp on Sep 10 2014, 00:30.

Sep 9 2014

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7…
b57945c40e38
·sjplimp on Sep 9 2014, 23:15.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7…
b843c808a503
·sjplimp on Sep 9 2014, 21:23.
Changed optimized default to 1
4f3c884aaac3
·athomps on Sep 9 2014, 19:12.
make optimized the default. stronger argument checking.
adcd5949c794
·Axel Kohlmeyer on Sep 9 2014, 18:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12452 f3b2605a-c512-4ea7…
334f57f7f3ea
·sjplimp on Sep 9 2014, 18:37.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12449 f3b2605a-c512-4ea7…
ac246386d0dd
·sjplimp on Sep 9 2014, 17:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7…
e898a2c91b33
·sjplimp on Sep 9 2014, 16:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7…
c9c83405ab90
·sjplimp on Sep 9 2014, 15:59.
update list of files to ignore
76de3ce36a37
·Axel Kohlmeyer on Sep 9 2014, 14:46.
more SNAP cleanup. respect $LAMMPS_POTENTIALS. fix memory leak.
db16ce277a8e
·Axel Kohlmeyer on Sep 9 2014, 14:45.
remove dead code and fix printf format error
b6bef976ba5d
·Axel Kohlmeyer on Sep 9 2014, 14:33.
Merge remote branch 'lammps-ro/master' into lammps-icms
f977c2663f1b
·Axel Kohlmeyer on Sep 9 2014, 13:21.

Sep 8 2014

Added Axel's changes to the OMP parts
1a4c75e8e57b
·athomps on Sep 8 2014, 20:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12443 f3b2605a-c512-4ea7…
96732223f85f
·sjplimp on Sep 8 2014, 18:53.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
a03b2c0add50
·Axel Kohlmeyer on Sep 8 2014, 18:51.
bugfix for issue reported on lammps-users by mike skarlinski
dddce684e11f
·Axel Kohlmeyer on Sep 8 2014, 18:51.
import update by Daniel Schwen posted on lammps-users
486b7a6f9008
·Axel Kohlmeyer on Sep 8 2014, 18:50.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7…
a0b94e9053fa
·sjplimp on Sep 8 2014, 17:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12433 f3b2605a-c512-4ea7…
bcb5c5a6e515
·sjplimp on Sep 8 2014, 17:40.

Sep 7 2014

update list of ignored files
b478aebd4aeb
·Axel Kohlmeyer on Sep 7 2014, 21:56.
remove broken files that are not likely to be completed
dc3d8189c792
·Axel Kohlmeyer on Sep 7 2014, 21:52.

Sep 6 2014

fix out-of-bound array access for triclinic boxes
ae4503e6a6c4
·Axel Kohlmeyer on Sep 6 2014, 18:30.
clean up SNAP implementation to compile cleanly with OpenMP and without
f0dc64c8157f
·Axel Kohlmeyer on Sep 6 2014, 18:29.
Merge remote branch 'lammps-ro/master' into lammps-icms
d12eca24b839
·Axel Kohlmeyer on Sep 6 2014, 15:25.

lammps/srclammm-master-deprecated9dd1fd29b218a2e2038d4a0…

Sep 27 2014

Sep 26 2014

Sep 25 2014

Sep 24 2014

Sep 23 2014

Sep 20 2014

Sep 19 2014

Sep 18 2014

Sep 17 2014

Sep 13 2014

Sep 12 2014

Sep 11 2014

Sep 10 2014

Sep 9 2014

Sep 8 2014

Sep 7 2014

Sep 6 2014

lammps/src
lammm-master-deprecated9dd1fd29b218a2e2038d4a0…