Diffusion lammps (lammm-devel) History

History
lammm-devel1dbd52a30cf7ab7dc191dcd…

Sep 20 2016

remove debug code
1dbd52a30cf7
·Axel Kohlmeyer on Sep 20 2016, 15:05.
demote OMP_NUM_THREAD "warning" to "message" in the hope to be less confusing…
7cc79de530b8
·Axel Kohlmeyer on Sep 20 2016, 14:58.
fix argument indexing bug in fix ave/atom
bc11518960b8
·Axel Kohlmeyer on Sep 20 2016, 05:19.

Sep 19 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
34ccbd726601
·Axel Kohlmeyer on Sep 19 2016, 13:10.

Sep 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15595 f3b2605a-c512-4ea7…
900c83960e6f
·sjplimp on Sep 18 2016, 02:06.

Sep 17 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
6eca661e4a54
·Axel Kohlmeyer on Sep 17 2016, 13:38.

Sep 16 2016

sync with GH
484122b8b610
·sjplimp on Sep 16 2016, 21:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15591 f3b2605a-c512-4ea7…
ed532358ad99
·sjplimp on Sep 16 2016, 18:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15590 f3b2605a-c512-4ea7…
5336ec07357c
·sjplimp on Sep 16 2016, 18:26.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15589 f3b2605a-c512-4ea7…
7d77aea42d30
·sjplimp on Sep 16 2016, 18:24.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15588 f3b2605a-c512-4ea7…
6fd60f50ad7d
·sjplimp on Sep 16 2016, 18:20.
whitespace cleanup
d66493ca13c8
·Axel Kohlmeyer on Sep 16 2016, 16:36.
permissions cleanup
21777f52604f
·Axel Kohlmeyer on Sep 16 2016, 16:33.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
0197738285ae
·Axel Kohlmeyer on Sep 16 2016, 13:05.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1ba7f726cce2
·Axel Kohlmeyer on Sep 16 2016, 13:05.

Sep 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15583 f3b2605a-c512-4ea7…
54b2f3c970d6
·sjplimp on Sep 15 2016, 23:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15582 f3b2605a-c512-4ea7…
e14eab610e78
·sjplimp on Sep 15 2016, 23:01.
make certain, that -log() doesn't overflow and assign a suitable maximum number…
e30420fc464f
·Axel Kohlmeyer on Sep 15 2016, 21:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15581 f3b2605a-c512-4ea7…
2049fa738045
·sjplimp on Sep 15 2016, 19:18.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15580 f3b2605a-c512-4ea7…
cf33c0e7fba4
·sjplimp on Sep 15 2016, 18:59.
corrections to the fix bond/create docs
429d56e3a380
·Axel Kohlmeyer on Sep 15 2016, 15:23.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
db1e17197fcf
·Axel Kohlmeyer on Sep 15 2016, 13:25.

Sep 14 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15579 f3b2605a-c512-4ea7…
b23e9f0d548e
·sjplimp on Sep 14 2016, 21:29.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15577 f3b2605a-c512-4ea7…
b29782d5ab51
·sjplimp on Sep 14 2016, 17:33.
sync with Git
0f6d21acda7b
·sjplimp on Sep 14 2016, 17:27.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
3b4412d782ef
·Axel Kohlmeyer on Sep 14 2016, 15:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15573 f3b2605a-c512-4ea7…
206f4e18a64e
·sjplimp on Sep 14 2016, 01:06.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15572 f3b2605a-c512-4ea7…
b3fa20718f0c
·sjplimp on Sep 14 2016, 01:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15571 f3b2605a-c512-4ea7…
9d0e85392555
·sjplimp on Sep 14 2016, 00:58.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15570 f3b2605a-c512-4ea7…
babaa839b0c2
·sjplimp on Sep 14 2016, 00:55.

Sep 13 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15569 f3b2605a-c512-4ea7…
9f3118341a30
·sjplimp on Sep 13 2016, 23:00.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15568 f3b2605a-c512-4ea7…
342421babb28
·sjplimp on Sep 13 2016, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15567 f3b2605a-c512-4ea7…
423052134b98
·sjplimp on Sep 13 2016, 22:43.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15566 f3b2605a-c512-4ea7…
fd5363fb6e38
·sjplimp on Sep 13 2016, 22:42.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
a2b4a794d9a2
·Axel Kohlmeyer on Sep 13 2016, 15:53.

Sep 12 2016

Fixing Kokkos bugs
d913f5e09409
·stamoor on Sep 12 2016, 23:09.
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into lammps…
586702720704
·Axel Kohlmeyer on Sep 12 2016, 15:46.
Moved test for ghost atom velocities to the ::init() method
38356949ba42
·Efrem Braun on Sep 12 2016, 15:30.
Merge branch 'merge-pull-177' into lammps-icms
bb029f9a438c
·Axel Kohlmeyer on Sep 12 2016, 15:21.
Only check for comm_modify vel yes if need be
7d70a5982721
·Efrem Braun on Sep 12 2016, 14:22.
Changed back stxcmp to strcmp
f96ef7c45ec1
·Efrem Braun on Sep 12 2016, 12:58.
Removed unused variable
f99296e7488e
·Efrem Braun on Sep 12 2016, 12:56.
Made error message if not comm_modify vel yes
780c13bc3ce7
·Efrem Braun on Sep 12 2016, 12:53.
Added comments for legibility purposes
d3239a3bdc65
·Efrem Braun on Sep 12 2016, 12:12.
Made calculation of bond kinetic energies simpler, and replaced calculation of…
dcc6a175c8a0
·Efrem Braun on Sep 12 2016, 11:35.

Sep 11 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
fe49cbe4cc1f
·Axel Kohlmeyer on Sep 11 2016, 12:27.

Sep 10 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15564 f3b2605a-c512-4ea7…
a8d7ca367de4
·sjplimp on Sep 10 2016, 22:19.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15563 f3b2605a-c512-4ea7…
99d5bf89bcdc
·sjplimp on Sep 10 2016, 21:48.

Sep 9 2016

require an atom map for compute voronoi/atom occupation
2b53f8039216
·Axel Kohlmeyer on Sep 9 2016, 13:37.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
ed7d2d42252f
·Axel Kohlmeyer on Sep 9 2016, 12:36.

Sep 8 2016

implement vashishta/table/omp in USER-OMP
ad2ccf6f2725
·Axel Kohlmeyer on Sep 8 2016, 23:29.
update vashishta pair style example
808a5ffa985b
·Axel Kohlmeyer on Sep 8 2016, 23:29.
update documentation for vashishta pair style
46f31424b034
·Axel Kohlmeyer on Sep 8 2016, 23:29.
ignore all variants of the vashishta pair styles in src/
d2a02eaa56b7
·Axel Kohlmeyer on Sep 8 2016, 23:29.
undo changes to vashishita/omp
a46098c89982
·Steve Plimpton / Axel Kohlmeyer on Sep 8 2016, 23:29.
created vashishta/table variant
4353fe8d91ce
·Axel Kohlmeyer on Sep 8 2016, 23:29.
sync with GH
1dd7a13d8233
·sjplimp on Sep 8 2016, 22:37.
sync with GH
b190abea390e
·sjplimp on Sep 8 2016, 22:20.
delete duplicate fclose() in fix ttm/mod constructor
39338865845a
·Axel Kohlmeyer on Sep 8 2016, 18:00.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
f8e659f44be7
·Axel Kohlmeyer on Sep 8 2016, 13:01.

Sep 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15560 f3b2605a-c512-4ea7…
06b7d56e168f
·sjplimp on Sep 7 2016, 19:17.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15559 f3b2605a-c512-4ea7…
ee4a1f0452ce
·sjplimp on Sep 7 2016, 18:12.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15558 f3b2605a-c512-4ea7…
d3694613fd91
·sjplimp on Sep 7 2016, 17:49.
Merge branch 'merge-pull-172' into lammps-icms
e546632ae0e1
·Axel Kohlmeyer on Sep 7 2016, 16:18.
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
b0940dec80b5
·Axel Kohlmeyer on Sep 7 2016, 14:41.
revert changes to group.cpp and compute_omega_chunk.cpp to accommodate changes…
ea9bcda82ebf
·Axel Kohlmeyer on Sep 7 2016, 14:35.
Merge branch 'doc_utils_corrections' of https://github.com/rbberger/lammps into…
f1f06bf3fa54
·Axel Kohlmeyer on Sep 7 2016, 08:14.
Enforce l,ule or l,ole command order for RST
79e867c213ee
·Richard Berger on Sep 7 2016, 07:33.
Refactored code and escape RST special character '_'
4629a464f701
·Richard Berger on Sep 7 2016, 06:54.
Escape RST special character '^' and take care of special math cases
453521c8e682
·Richard Berger on Sep 7 2016, 06:21.
Escape RST special character '*' in final output
7cb39811d47b
·Richard Berger on Sep 7 2016, 06:21.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15557 f3b2605a-c512-4ea7…
bf0c18a0f238
·sjplimp on Sep 7 2016, 01:19.
Updating Kokkos lib
39be4185c40b
·stamoor on Sep 7 2016, 01:06.
Updating Kokkos lib
1ad033ec0c71
·stamoor on Sep 7 2016, 01:02.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15554 f3b2605a-c512-4ea7…
f67a9722eaf7
·sjplimp on Sep 7 2016, 01:01.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15553 f3b2605a-c512-4ea7…
06bac161ae24
·sjplimp on Sep 7 2016, 00:58.
GH changes to doc pages
5277242cfeed
·sjplimp on Sep 7 2016, 00:56.
Reverting optimizations that hurt performance on some compilers
83f139642eb6
·stamoor on Sep 7 2016, 00:09.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15549 f3b2605a-c512-4ea7…
5568320bd6df
·sjplimp on Sep 7 2016, 00:05.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15548 f3b2605a-c512-4ea7…
74d0bc4df6f6
·sjplimp on Sep 7 2016, 00:05.

Sep 6 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15547 f3b2605a-c512-4ea7…
56945a56aabe
·sjplimp on Sep 6 2016, 23:55.
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps…
5b6992a9bf34
·Axel Kohlmeyer on Sep 6 2016, 23:04.
Merge branch 'merge-pull-170' into lammps-icms
0569c3880975
·Axel Kohlmeyer on Sep 6 2016, 22:52.
Merge branch 'lammps-icms' of https://github.com/efremdan1/lammps into merge…
9625b99ba7a0
·Axel Kohlmeyer on Sep 6 2016, 22:12.
Made documentation and code of last commit more legible
1ce11d2227f0
·Efrem Braun on Sep 6 2016, 21:23.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15545 f3b2605a-c512-4ea7…
f9c106897f9b
·sjplimp on Sep 6 2016, 18:53.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15544 f3b2605a-c512-4ea7…
626ae8d85cb9
·sjplimp on Sep 6 2016, 18:52.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15543 f3b2605a-c512-4ea7…
4282107e5d91
·sjplimp on Sep 6 2016, 18:39.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15541 f3b2605a-c512-4ea7…
1e11d2d923f4
·sjplimp on Sep 6 2016, 18:38.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15540 f3b2605a-c512-4ea7…
c21cf0364fc7
·sjplimp on Sep 6 2016, 18:33.
Fixing bug in Kokkos ReaxFF
688b1f1efc46
·stamoor on Sep 6 2016, 16:06.
update fix ave/histo in compute rdf example
e1437e3451a9
·Axel Kohlmeyer on Sep 6 2016, 13:02.
Merge branch 'merge-pull-169' into lammps-icms
fb6c2b60f942
·Axel Kohlmeyer on Sep 6 2016, 02:38.
Merge branch 'correct_2af907a' of https://github.com/timattox/lammps_USER-DPD…
56b5cd48da29
·Axel Kohlmeyer on Sep 6 2016, 02:38.
update colvars library to version 2016-09-03
4181f5ac9d72
·Axel Kohlmeyer on Sep 6 2016, 02:37.

Sep 5 2016

added in option to compute_bond_local to calculate bond velocities and kinetic…
245c70e91686
·Efrem Braun on Sep 5 2016, 23:42.
Fix a bug introduced in commit 2af907a. Thanks to efremdan1 for finding it.
76e063887acf
·Tim Mattox on Sep 5 2016, 23:27.

Sep 3 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
83986c9d1aec
·Axel Kohlmeyer on Sep 3 2016, 13:19.
Fixing bugs in per-atom
fc80281fd990
·stamoor on Sep 3 2016, 00:45.

Sep 2 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
222e9de4c889
·Axel Kohlmeyer on Sep 2 2016, 15:02.