Diffusion lammps (lammm-master) History

lammps/src
lammm-masterfe49cbe4cc1fac87e26940a…

Jul 10 2016

Merge branch 'lammps-icms' into merge-qe-qmmm
c4529dc00a4d
·Axel Kohlmeyer on Jul 10 2016, 13:14.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
8363441a2804
·Axel Kohlmeyer on Jul 10 2016, 13:03.

Jul 9 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15279 f3b2605a-c512-4ea7…
4484686077fa
·sjplimp on Jul 9 2016, 22:59.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7…
a33753ae6f46
·sjplimp on Jul 9 2016, 22:57.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15277 f3b2605a-c512-4ea7…
80b6719d686f
·sjplimp on Jul 9 2016, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15276 f3b2605a-c512-4ea7…
ee6f9b96211a
·sjplimp on Jul 9 2016, 22:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15275 f3b2605a-c512-4ea7…
28faf109808a
·sjplimp on Jul 9 2016, 22:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15274 f3b2605a-c512-4ea7…
6bc507cd6aed
·sjplimp on Jul 9 2016, 22:41.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15273 f3b2605a-c512-4ea7…
18b0426c99ce
·sjplimp on Jul 9 2016, 22:40.

Jul 8 2016

Merge branch 'lammps-icms' into merge-qe-qmmm
10e059196cd1
·Axel Kohlmeyer on Jul 8 2016, 17:34.
significantly simplify and clean up EC support code in fix qmmm. reduce memory…
7b1ace6890c9
·Axel Kohlmeyer on Jul 8 2016, 15:53.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
381c13020544
·Axel Kohlmeyer on Jul 8 2016, 12:57.
first pass of refactoring for fix qmmm.
511c8f202148
·Axel Kohlmeyer on Jul 8 2016, 01:18.
import code for fix qmmm as provided by carlo & co.
f18138ccacdd
·Axel Kohlmeyer on Jul 8 2016, 01:15.

Jul 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15270 f3b2605a-c512-4ea7…
cdc9712261c2
·sjplimp on Jul 7 2016, 16:39.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3abac37ec9ad
·Axel Kohlmeyer on Jul 7 2016, 12:36.
adjust shear history based /omp pair styles for support of newton pair on
5284d2d7df33
·Axel Kohlmeyer on Jul 7 2016, 12:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15269 f3b2605a-c512-4ea7…
526f95e05046
·sjplimp on Jul 7 2016, 01:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15266 f3b2605a-c512-4ea7…
10c19a9530b5
·sjplimp on Jul 7 2016, 01:25.

Jul 6 2016

remove some dead code
060d566f7c0c
·Axel Kohlmeyer on Jul 6 2016, 19:45.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15265 f3b2605a-c512-4ea7…
9da26677c5b8
·sjplimp on Jul 6 2016, 17:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15264 f3b2605a-c512-4ea7…
85cb6786e09a
·sjplimp on Jul 6 2016, 16:54.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15263 f3b2605a-c512-4ea7…
33ae48afa570
·sjplimp on Jul 6 2016, 16:54.

Jul 5 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15260 f3b2605a-c512-4ea7…
742ad5ac508d
·sjplimp on Jul 5 2016, 16:41.

Jul 4 2016

Move SSA processing for a set of particle pairs into do_ssaAIR_for() Will make…
0c6ca4a0a805
·Tim Mattox on Jul 4 2016, 21:00.
Cleanup fix shardlow: move some loop invariants out of loops
83c687ba94ac
·Tim Mattox on Jul 4 2016, 18:44.
Minor tweaks to fix_shardlow to clarify things for upcoming changes.
2ceea950c5bc
·Tim Mattox on Jul 4 2016, 17:22.

Jul 3 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
d10914dfd760
·Axel Kohlmeyer on Jul 3 2016, 19:41.

Jul 2 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15259 f3b2605a-c512-4ea7…
547dd3edc89f
·sjplimp on Jul 2 2016, 23:03.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
076464e41187
·Axel Kohlmeyer on Jul 2 2016, 12:27.
anticipate change in upstream to avoid conflict with local change
0c0691e433ff
·Axel Kohlmeyer on Jul 2 2016, 12:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15255 f3b2605a-c512-4ea7…
b8ad2ecd7a97
·sjplimp on Jul 2 2016, 01:36.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15253 f3b2605a-c512-4ea7…
a329a724b2a5
·sjplimp on Jul 2 2016, 01:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15250 f3b2605a-c512-4ea7…
88812c44fba8
·sjplimp on Jul 2 2016, 01:31.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15247 f3b2605a-c512-4ea7…
8366b354597d
·sjplimp on Jul 2 2016, 01:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15246 f3b2605a-c512-4ea7…
cedb420ebcce
·sjplimp on Jul 2 2016, 01:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15243 f3b2605a-c512-4ea7…
78df7623b30c
·sjplimp on Jul 2 2016, 01:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15242 f3b2605a-c512-4ea7…
b4b30d65da81
·sjplimp on Jul 2 2016, 00:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15241 f3b2605a-c512-4ea7…
d291fcb5d959
·sjplimp on Jul 2 2016, 00:39.

Jul 1 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15240 f3b2605a-c512-4ea7…
29e64df1ba6f
·sjplimp on Jul 1 2016, 23:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15238 f3b2605a-c512-4ea7…
f0179f6f902c
·sjplimp on Jul 1 2016, 18:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15237 f3b2605a-c512-4ea7…
9fd68031424b
·sjplimp on Jul 1 2016, 16:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15236 f3b2605a-c512-4ea7…
94bdf1237bd8
·sjplimp on Jul 1 2016, 16:21.
remove dead code
7f8365d9307b
·Axel Kohlmeyer on Jul 1 2016, 12:37.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
4320104f4990
·Axel Kohlmeyer on Jul 1 2016, 12:28.
accept data files without zlo/zhi. use -0.5/0.5 as implied in the docs
0be38e2d375b
·Axel Kohlmeyer on Jul 1 2016, 02:12.

Jun 30 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15235 f3b2605a-c512-4ea7…
cda102364af9
·sjplimp on Jun 30 2016, 22:43.
Fixed bug in qtype bugfix
f735a669ad01
·athomps on Jun 30 2016, 21:25.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
92dfac5b9ec1
·Axel Kohlmeyer on Jun 30 2016, 19:20.
be more diligent with bounding box information when reading from a data file or…
0a9f76df32da
·Axel Kohlmeyer on Jun 30 2016, 19:20.

Jun 29 2016

optimize use of power function with integer power
d15007fe7d2d
·Axel Kohlmeyer on Jun 29 2016, 22:45.
remove debug output
93834b0f06ea
·Axel Kohlmeyer on Jun 29 2016, 21:52.
plug remaining known memory leaks in USER-DPD
aa63c9c3c270
·Axel Kohlmeyer on Jun 29 2016, 18:22.
properly use FLERR macro
2f4abe1ec81a
·Axel Kohlmeyer on Jun 29 2016, 15:39.
use MathSpecial::powint() instead of fastpowi() hack
575f63e8f02f
·Axel Kohlmeyer on Jun 29 2016, 15:29.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
e1d589bc8ddb
·Axel Kohlmeyer on Jun 29 2016, 13:16.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15233 f3b2605a-c512-4ea7…
df720a4565f2
·sjplimp on Jun 29 2016, 00:43.

Jun 28 2016

update .gitignore for recently added packages and features
ee0d6221fc15
·Axel Kohlmeyer on Jun 28 2016, 22:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15229 f3b2605a-c512-4ea7…
a01d08aba493
·sjplimp on Jun 28 2016, 15:30.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15227 f3b2605a-c512-4ea7…
8c63302c82fd
·sjplimp on Jun 28 2016, 15:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15226 f3b2605a-c512-4ea7…
788ba5543675
·sjplimp on Jun 28 2016, 15:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15223 f3b2605a-c512-4ea7…
ab2fe0113ef4
·sjplimp on Jun 28 2016, 15:20.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a9e24212d89c
·Axel Kohlmeyer on Jun 28 2016, 13:40.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15220 f3b2605a-c512-4ea7…
f3a3b1c83809
·sjplimp on Jun 28 2016, 00:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15217 f3b2605a-c512-4ea7…
b58e008caeaf
·sjplimp on Jun 28 2016, 00:19.

Jun 27 2016

correctly add user-hadress package in list of user packages
d19428d25743
·Axel Kohlmeyer on Jun 27 2016, 17:33.

Jun 25 2016

Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
eba0376da307
·Axel Kohlmeyer on Jun 25 2016, 01:00.
teach read_data to handle empty XXX Coeffs sections and write_data to not…
2d96ddcf623f
·Axel Kohlmeyer on Jun 25 2016, 00:59.

Jun 24 2016

Merge branch 'merge-gpu-patch' into lammps-icms
d8670ba7e328
·Axel Kohlmeyer on Jun 24 2016, 20:31.
Merge branch 'merge-pull-100' into lammps-icms
1bfe3a3ff5ba
·Axel Kohlmeyer on Jun 24 2016, 20:30.
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge…
6ba8906ce2fe
·Axel Kohlmeyer on Jun 24 2016, 20:00.
remove trailing whitespace and replace tabs with spaces in gpu library and…
7c016aee735e
·Axel Kohlmeyer on Jun 24 2016, 19:59.
include patch from trung that addresses issues when using manybody potentials…
bc8c50615c6d
·Axel Kohlmeyer on Jun 24 2016, 19:50.
HADRESS_Version_24_Jun_2016
b69f79ca1b98
·MaziarHeidari on Jun 24 2016, 18:26.
HADRESS_Version_24_Jun_2016
3424786a4779
·MaziarHeidari on Jun 24 2016, 16:06.
HADRESS_Version_24_Jun_2016
1ed74de9a87f
·MaziarHeidari on Jun 24 2016, 16:05.
HADRESS_Version_24_Jun_2016
7e4cd4643459
·MaziarHeidari on Jun 24 2016, 16:03.
HADRESS_Version_24_Jun_2016
1f7f7bf12b45
·MaziarHeidari on Jun 24 2016, 16:01.
HADRESS_Version_24_Jun_2016
824c0a359638
·MaziarHeidari on Jun 24 2016, 15:49.
fixup CR-LF mess
95ec7a3c0e70
·Axel Kohlmeyer on Jun 24 2016, 12:37.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
52f73246b731
·Axel Kohlmeyer on Jun 24 2016, 12:36.

Jun 23 2016

Adding Kokkos ReaxFF files
0434eb168973
·stamoor on Jun 23 2016, 22:11.
Merge branch 'USER-DPD_restore_atom_style_support' of https://github.
84b7bce41cf6
·Axel Kohlmeyer on Jun 23 2016, 18:02.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fb69d36b3eab
·Axel Kohlmeyer on Jun 23 2016, 18:01.
Move ssaAIR calculation code from atom_vec_dpd into fix_shardlow. Re-enables…
0ccd6c6ed96d
·Tim Mattox on Jun 23 2016, 16:28.
add missing newline characters
6fa216d96cbe
·Axel Kohlmeyer on Jun 23 2016, 13:20.
Merge branch 'update-user-manifold' of https://github.com/Pakketeretet2/lammps…
67c60a3ac725
·Axel Kohlmeyer on Jun 23 2016, 13:18.
Forgot closing quotes.
eaa3e82aff1a
·Stefan Paquay on Jun 23 2016, 09:58.
Fixed bibtex entry to be proper bibtex.
20681bac1a63
·Stefan Paquay on Jun 23 2016, 09:54.
removed morse soft from wrong branch.
987f7f19c80c
·Stefan Paquay on Jun 23 2016, 09:50.

Jun 22 2016

Adding Kokkos mpi-only Makefile
fa7c2cea4d38
·stamoor on Jun 22 2016, 18:51.

Jun 21 2016

Fix the SSA AIR number for ghosts that fall exactly on the upper boundary. Bug…
a1239e65607a
·Tim Mattox on Jun 21 2016, 22:27.
Merge branch 'add-gw' into lammps-icms
396523a0daac
·Axel Kohlmeyer on Jun 21 2016, 20:32.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
19e4cc0f101f
·Axel Kohlmeyer on Jun 21 2016, 20:05.
Fixes a bug when attempting to restart a reaction DPD calculation.
7e65f67f2ba2
·Tim Mattox on Jun 21 2016, 18:49.
force initialization of some member variables in compute rigid/local
b01d83f17801
·Axel Kohlmeyer on Jun 21 2016, 15:17.
Fixed the citation to be a valid bibtex format.
455c123191c4
·Stefan Paquay on Jun 21 2016, 15:10.

Jun 20 2016

undo commit enabling a known to be broken feature
881dd7608c13
·Axel Kohlmeyer on Jun 20 2016, 20:05.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
9cab25d42c8b
·Axel Kohlmeyer on Jun 20 2016, 20:04.
Merge branch 'USER-HADRESS' of https://github.com/hadress/lammps into merge…
4e62aa6510fc
·Axel Kohlmeyer on Jun 20 2016, 18:05.

lammps/srclammm-masterfe49cbe4cc1fac87e26940a…

Jul 10 2016

Jul 9 2016

Jul 8 2016

Jul 7 2016

Jul 6 2016

Jul 5 2016

Jul 4 2016

Jul 3 2016

Jul 2 2016

Jul 1 2016

Jun 30 2016

Jun 29 2016

Jun 28 2016

Jun 27 2016

Jun 25 2016

Jun 24 2016

Jun 23 2016

Jun 22 2016

Jun 21 2016

Jun 20 2016

lammps/src
lammm-masterfe49cbe4cc1fac87e26940a…