Diffusion lammps (lammm-master-deprecated) History

USER-OMP
lammm-master-deprecated

Sep 8 2016

implement vashishta/table/omp in USER-OMP
ad2ccf6f2725
·Axel Kohlmeyer on Sep 8 2016, 23:29.
undo changes to vashishita/omp
a46098c89982
·Steve Plimpton / Axel Kohlmeyer on Sep 8 2016, 23:29.

Aug 28 2016

optimize twobody term by passing a const reference instead of a pointer
4a7d389f42a4
·Axel Kohlmeyer on Aug 28 2016, 04:52.
updated and slightly refactored tabulation for vashishta pair style
3ca518703c83
·Axel Kohlmeyer on Aug 28 2016, 04:36.
Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into…
67ded259f270
·Axel Kohlmeyer on Aug 28 2016, 02:48.

Aug 27 2016

enforce C or POSIX locale in all shell scripts and turn of enforced global grep…
84d0bed33b56
·Axel Kohlmeyer on Aug 27 2016, 16:34.

Aug 17 2016

Added 3-body neighbor list building for faster short range 3 body forces.
233a1c3e84a3
·Anders Hafreager on Aug 17 2016, 05:28.
Added tabulated version of vashishta potential
08228bd62d12
·Anders Hafreager on Aug 17 2016, 04:53.

Aug 9 2016

port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp
ad652c9b82b0
·Axel Kohlmeyer on Aug 9 2016, 16:30.

Aug 4 2016

delete redundant code and add comment to avoid doing this in the future
ca1050f5875b
·Axel Kohlmeyer on Aug 4 2016, 19:24.

Aug 3 2016

port code from serial implementation to /omp version
b3664c217b1e
·Axel Kohlmeyer on Aug 3 2016, 18:28.

Jul 28 2016

provide better informative messages when OMP_NUM_THREADS is not set or code was…
3080bb534113
·Axel Kohlmeyer on Jul 28 2016, 14:03.

Jul 27 2016

Merge branch 'merge-pull-124' into lammps-icms
f0d1800734ed
·Axel Kohlmeyer on Jul 27 2016, 13:59.
port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp
ef05a24f8773
·Axel Kohlmeyer on Jul 27 2016, 13:27.

Jul 26 2016

some small tweaks and fixes to fix_n*_sphere*.cpp files
c3473f7ca805
·Axel Kohlmeyer on Jul 26 2016, 22:41.

Jul 17 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
5519b38bd9ba
·Axel Kohlmeyer on Jul 17 2016, 12:20.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15338 f3b2605a-c512-4ea7…
778ae37e6e53
·sjplimp on Jul 17 2016, 00:27.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15337 f3b2605a-c512-4ea7…
1111c8ba93c9
·sjplimp on Jul 17 2016, 00:19.

Jul 16 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15323 f3b2605a-c512-4ea7…
2705ddcaab9c
·sjplimp on Jul 16 2016, 00:43.

Jul 14 2016

make fix wall/gran/omp compile again
cca89b7cb2dd
·Axel Kohlmeyer on Jul 14 2016, 13:26.
port changes to fix wall/gran to fix wall/gran/omp
8213a5d6e8e5
·Axel Kohlmeyer on Jul 14 2016, 13:03.

Jul 9 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7…
a33753ae6f46
·sjplimp on Jul 9 2016, 22:57.

Jul 7 2016

adjust shear history based /omp pair styles for support of newton pair on
5284d2d7df33
·Axel Kohlmeyer on Jul 7 2016, 12:36.

Jun 18 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7…
d55f968432a4
·sjplimp on Jun 18 2016, 01:48.

Jun 16 2016

add respa level support to a large number of fixes
101a1a459a04
·Axel Kohlmeyer on Jun 16 2016, 23:48.

Jun 15 2016

tweak output for respa levels
92371fbdaffc
·Axel Kohlmeyer on Jun 15 2016, 18:13.

Jun 14 2016

remove redundant line of output
ffd1418c2d13
·Axel Kohlmeyer on Jun 14 2016, 05:37.
update respa information (print time step for all levels), adjusted fix respa…
425f6537ec2a
·Axel Kohlmeyer on Jun 14 2016, 04:50.

Jun 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7…
0f3e4182e869
·sjplimp on Jun 7 2016, 01:21.

Jun 3 2016

bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp…
a9b7c62a0602
·Axel Kohlmeyer on Jun 3 2016, 07:55.

Jun 2 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7…
15068b635478
·sjplimp on Jun 2 2016, 16:08.

Jun 1 2016

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
7b8a96ee8cef
·Axel Kohlmeyer on Jun 1 2016, 12:35.

May 31 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7…
876b033ea862
·sjplimp on May 31 2016, 18:33.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7…
04e401ae4ba7
·sjplimp on May 31 2016, 18:20.

May 22 2016

another set of changes to appease coverity scan and to ensure proper…
22d18007c54c
·Axel Kohlmeyer on May 22 2016, 01:43.

May 19 2016

enforce initialization of variables to reduce false positives in coverity
dae561063d68
·Axel Kohlmeyer on May 19 2016, 00:20.

May 13 2016

make certain, that per atom storage is consistently allocated for per-atom…
4c07a99a7a88
·Axel Kohlmeyer on May 13 2016, 18:04.

May 12 2016

tally REBO, LJ and TORSION energy terms into separate accumulators accessible…
c75cc25d6c7b
·Axel Kohlmeyer on May 12 2016, 22:56.
make airebo code safer against division by zero
c5b34d683dd8
·Axel Kohlmeyer on May 12 2016, 21:46.

Apr 27 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7…
5f86c15dd224
·sjplimp on Apr 27 2016, 16:56.

Apr 22 2016

apply bugfix for neighbor list flag to package omp
ec9977f78821
·Axel Kohlmeyer on Apr 22 2016, 14:50.

Apr 7 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7…
8e36364f5cea
·sjplimp on Apr 7 2016, 23:04.

Mar 29 2016

small updates to address issues flagged by coverity scan
5fb8bad60e5d
·Axel Kohlmeyer on Mar 29 2016, 00:14.

Mar 22 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7…
40a438575d6f
·sjplimp on Mar 22 2016, 14:44.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7…
89e3f5b5a2c4
·sjplimp on Mar 22 2016, 14:28.

Mar 21 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7…
36776f425b93
·sjplimp on Mar 21 2016, 17:01.

Mar 15 2016

pair style rebo/morse makes no sense. removed.
d4f56129049c
·Axel Kohlmeyer on Mar 15 2016, 22:27.
Integrate AIREBO-M by merging it into regular AIREBO and building wrapper…
906ebc261e71
·Axel Kohlmeyer on Mar 15 2016, 21:39.

Mar 14 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7…
61c0608ffa7e
·sjplimp on Mar 14 2016, 19:45.

Mar 11 2016

adapt attribution to usual LAMMPS style
ca56f521f43c
·Axel Kohlmeyer on Mar 11 2016, 23:00.
Merge branch 'pair-morse-smooth-linear-omp' of https://github.
c80fb4b8ea06
·Axel Kohlmeyer on Mar 11 2016, 22:54.
Done making changes.
b6355a077241
·Stefan Paquay on Mar 11 2016, 22:39.
fix bug in lj/charmm/coul/charmm reported on lammps-users
e58b10fa8121
·Axel Kohlmeyer on Mar 11 2016, 14:45.

Mar 6 2016

remove customization no longer needed when using fastdep
116403443ad2
·Axel Kohlmeyer on Mar 6 2016, 17:05.

Feb 29 2016

need to manually touch neighbor.cpp for packages providing custom neighbor…
f37a13e6b0f9
·Axel Kohlmeyer on Feb 29 2016, 15:41.

Jan 15 2016

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14446 f3b2605a-c512-4ea7…
c0779472855e
·sjplimp on Jan 15 2016, 16:30.
remove tri/lj/omp due to data races.
02884d27131e
·Axel Kohlmeyer on Jan 15 2016, 16:22.
delete pair_style line/lj/omp in anticipation of it being broken with the next…
6191b6515eaf
·Axel Kohlmeyer on Jan 15 2016, 04:16.

Dec 15 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7…
0939eb1ee963
·sjplimp on Dec 15 2015, 23:30.

Dec 11 2015

Merge branch 'merge-pull-22' into lammps-icms
de060a56ad58
·Axel Kohlmeyer on Dec 11 2015, 13:35.
Merge branch 'pull-requests' of git://github.com/crtrott/lammps into merge-pull…
526e5b74647e
·Axel Kohlmeyer on Dec 11 2015, 13:24.

Dec 10 2015

Fix an issue with usage of isfinite
4099f540dd26
·crtrott on Dec 10 2015, 19:48.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7…
86a4507b00c1
·sjplimp on Dec 10 2015, 17:55.
transfer updates from angle style dipole to dipole/omp
b2a75f111c35
·Axel Kohlmeyer on Dec 10 2015, 13:23.

Nov 24 2015

move lj/cut/thole/long/omp into USER-OMP directory, so it is properly installed…
7bb39e299685
·Axel Kohlmeyer on Nov 24 2015, 20:04.

Oct 31 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
1e9a4cc4b808
·Axel Kohlmeyer on Oct 31 2015, 15:54.

Oct 30 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7…
354e20f43157
·sjplimp on Oct 30 2015, 21:04.

Oct 25 2015

consolidate timeout initialization into run/minimize commands
704936880c53
·Axel Kohlmeyer on Oct 25 2015, 16:06.
reimplement wallclock timeout in timer class instead of update.
9be09f5ddf3a
·Axel Kohlmeyer on Oct 25 2015, 03:15.

Oct 23 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7…
cfbe572aa5a7
·sjplimp on Oct 23 2015, 01:03.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7…
cee848f94865
·sjplimp on Oct 23 2015, 00:06.

Oct 21 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7…
9a878cdd6718
·sjplimp on Oct 21 2015, 20:29.
Added vashishta to USER-OMP from Axel
bf26b12668a4
·athomps on Oct 21 2015, 05:57.

Oct 16 2015

add OpenMP version of newly added vashishta potential
719d04945290
·Axel Kohlmeyer on Oct 16 2015, 12:37.

Oct 15 2015

Propoaged SW cutoff fix into similar code elsewhere
834731ddb4f4
·athomps on Oct 15 2015, 20:41.
propagate aidan's bugfix to pair sw to other sw based styles.
6d2e43cb8016
·Axel Kohlmeyer on Oct 15 2015, 20:12.
remove dead code
99e3bbbb5031
·Axel Kohlmeyer on Oct 15 2015, 20:11.

Oct 14 2015

add API to run fixes before the reverse communication following the force…
373c7faf5d0a
·Axel Kohlmeyer on Oct 14 2015, 23:22.
detect and handle if number of threads has been changed
e423579d40f8
·Axel Kohlmeyer on Oct 14 2015, 05:49.

Oct 12 2015

remove dead code
47dff86b8412
·Axel Kohlmeyer on Oct 12 2015, 21:13.

Oct 9 2015

propagate using time limit for multiple integrator and minimizer variants
f375bb68a4ba
·Axel Kohlmeyer on Oct 9 2015, 18:19.

Oct 5 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7…
5fa97f537abd
·sjplimp on Oct 5 2015, 17:25.
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7…
56ee1b670b3b
·sjplimp on Oct 5 2015, 17:13.

Oct 3 2015

remove redundant test
d423c1c994ef
·Axel Kohlmeyer on Oct 3 2015, 17:16.

Oct 2 2015

Init member correctly and use delete without redundant NULL check
b15731f3f1e4
·Richard Berger on Oct 2 2015, 03:51.

Oct 1 2015

plug memory leak on thread data class
aad9b19de0d1
·Axel Kohlmeyer on Oct 1 2015, 21:09.

Sep 30 2015

remove left over local const variable.
14afbbb1f0d6
·Axel Kohlmeyer on Sep 30 2015, 22:44.
plug memory leak and incorrect handling of pRNGs for changing number of threads…
1583b88406b9
·Axel Kohlmeyer on Sep 30 2015, 22:05.

Sep 29 2015

fix typo
6884d7dd2d02
·Axel Kohlmeyer on Sep 29 2015, 20:58.
remove dead code
1ee0f5e15d08
·Axel Kohlmeyer on Sep 29 2015, 20:58.
synchronize multi-full neighborlist for OpenMP with serial code.
e40595b2bc7b
·Axel Kohlmeyer on Sep 29 2015, 20:48.
fix typo detected by coverity scan
70d3f68ab7e9
·Axel Kohlmeyer on Sep 29 2015, 20:47.
remove ambiguity on else branch which implied npath == 4
30a0f3cf5c7c
·Axel Kohlmeyer on Sep 29 2015, 19:41.

Sep 28 2015

fix uninitialized type error in AIREBO
3e53da15da85
·Axel Kohlmeyer on Sep 28 2015, 23:42.

Sep 27 2015

correct cut-n-paste errors
c8077dd2dea4
·Axel Kohlmeyer on Sep 27 2015, 18:39.
add missing parenthesis. fixes CID 151102.
474daec73e6d
·Axel Kohlmeyer on Sep 27 2015, 12:44.

Sep 11 2015

git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7…
9effcca0df71
·sjplimp on Sep 11 2015, 16:49.

Sep 10 2015

fix memory leak and NULL pointer dereference in dpd/omp and dpd/tstat/omp
62384bb1b8db
·Axel Kohlmeyer on Sep 10 2015, 02:31.

Sep 3 2015

undo cosmetic differences between LAMMPS-ICMS and LAMMPS
c503b8736d38
·Axel Kohlmeyer on Sep 3 2015, 12:51.

Sep 1 2015

Merge remote-tracking branch 'lammps-ro/master' into lammps-icms
77ab06d3eeba
·Axel Kohlmeyer on Sep 1 2015, 12:32.

lammps/src/USER-OMPlammm-master-deprecated

Sep 8 2016

Aug 28 2016

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lammps/src/USER-OMP
lammm-master-deprecated