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Diffusion lammps (runner) Graph

lammps/src/USER-OMP
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History Graph

CommitAuthorDetailsCommitted
ad2ccf6f2725Axel Kohlmeyer
implement vashishta/table/omp in USER-OMP 
Sep 8 2016
a46098c89982Steve Plimpton/Axel Kohlmeyer
undo changes to vashishita/omp 
Sep 8 2016
4a7d389f42a4Axel Kohlmeyer
optimize twobody term by passing a const reference instead of a pointer 
Aug 28 2016
3ca518703c83Axel Kohlmeyer
updated and slightly refactored tabulation for vashishta pair style 
Aug 28 2016
67ded259f270Axel Kohlmeyer
Merge branch 'optimized_vashishta' of https://github.com/andeplane/lammps into… 
Aug 28 2016
84d0bed33b56Axel Kohlmeyer
enforce C or POSIX locale in all shell scripts and turn of enforced global grep… 
Aug 27 2016
233a1c3e84a3Anders Hafreager
Added 3-body neighbor list building for faster short range 3 body forces. 
Aug 17 2016
08228bd62d12Anders Hafreager
Added tabulated version of vashishta potential 
Aug 17 2016
ad652c9b82b0Axel Kohlmeyer
port changes to lj/sf/dipole/sf to lj/sf/dipole/sf/omp 
Aug 9 2016
ca1050f5875bAxel Kohlmeyer
delete redundant code and add comment to avoid doing this in the future 
Aug 4 2016
b3664c217b1eAxel Kohlmeyer
port code from serial implementation to /omp version 
Aug 3 2016
3080bb534113Axel Kohlmeyer
provide better informative messages when OMP_NUM_THREADS is not set or code was… 
Jul 28 2016
f0d1800734edAxel Kohlmeyer
Merge branch 'merge-pull-124' into lammps-icms 
Jul 27 2016
ef05a24f8773Axel Kohlmeyer
port optimizations from pair style lj/sf/dipole/sf to lj/sf/dipole/sf/omp 
Jul 27 2016
c3473f7ca805Axel Kohlmeyer
some small tweaks and fixes to fix_n*_sphere*.cpp files 
Jul 26 2016
5519b38bd9baAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jul 17 2016
778ae37e6e53sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15338 f3b2605a-c512-4ea7… 
Jul 17 2016
1111c8ba93c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15337 f3b2605a-c512-4ea7… 
Jul 17 2016
2705ddcaab9csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15323 f3b2605a-c512-4ea7… 
Jul 16 2016
cca89b7cb2ddAxel Kohlmeyer
make fix wall/gran/omp compile again 
Jul 14 2016
8213a5d6e8e5Axel Kohlmeyer
port changes to fix wall/gran to fix wall/gran/omp 
Jul 14 2016
a33753ae6f46sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15278 f3b2605a-c512-4ea7… 
Jul 9 2016
5284d2d7df33Axel Kohlmeyer
adjust shear history based /omp pair styles for support of newton pair on 
Jul 7 2016
d55f968432a4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15203 f3b2605a-c512-4ea7… 
Jun 18 2016
101a1a459a04Axel Kohlmeyer
add respa level support to a large number of fixes 
Jun 16 2016
92371fbdaffcAxel Kohlmeyer
tweak output for respa levels 
Jun 15 2016
ffd1418c2d13Axel Kohlmeyer
remove redundant line of output 
Jun 14 2016
425f6537ec2aAxel Kohlmeyer
update respa information (print time step for all levels), adjusted fix respa… 
Jun 14 2016
0f3e4182e869sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15109 f3b2605a-c512-4ea7… 
Jun 7 2016
a9b7c62a0602Axel Kohlmeyer
bugfix for fix_modify temp issue in fix_rigid_nh.cpp and fix_rigid_nh_small.cpp… 
Jun 3 2016
15068b635478sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15100 f3b2605a-c512-4ea7… 
Jun 2 2016
7b8a96ee8cefAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jun 1 2016
876b033ea862sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15083 f3b2605a-c512-4ea7… 
May 31 2016
04e401ae4ba7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@15080 f3b2605a-c512-4ea7… 
May 31 2016
22d18007c54cAxel Kohlmeyer
another set of changes to appease coverity scan and to ensure proper… 
May 22 2016
dae561063d68Axel Kohlmeyer
enforce initialization of variables to reduce false positives in coverity 
May 19 2016
4c07a99a7a88Axel Kohlmeyer
make certain, that per atom storage is consistently allocated for per-atom… 
May 13 2016
c75cc25d6c7bAxel Kohlmeyer
tally REBO, LJ and TORSION energy terms into separate accumulators accessible… 
May 12 2016
c5b34d683dd8Axel Kohlmeyer
make airebo code safer against division by zero 
May 12 2016
5f86c15dd224sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14895 f3b2605a-c512-4ea7… 
Apr 27 2016
ec9977f78821Axel Kohlmeyer
apply bugfix for neighbor list flag to package omp 
Apr 22 2016
8e36364f5ceasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14805 f3b2605a-c512-4ea7… 
Apr 7 2016
5fb8bad60e5dAxel Kohlmeyer
small updates to address issues flagged by coverity scan 
Mar 29 2016
40a438575d6fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14776 f3b2605a-c512-4ea7… 
Mar 22 2016
89e3f5b5a2c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14772 f3b2605a-c512-4ea7… 
Mar 22 2016
36776f425b93sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14756 f3b2605a-c512-4ea7… 
Mar 21 2016
d4f56129049cAxel Kohlmeyer
pair style rebo/morse makes no sense. removed. 
Mar 15 2016
906ebc261e71Axel Kohlmeyer
Integrate AIREBO-M by merging it into regular AIREBO and building wrapper… 
Mar 15 2016
61c0608ffa7esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14745 f3b2605a-c512-4ea7… 
Mar 14 2016
ca56f521f43cAxel Kohlmeyer
adapt attribution to usual LAMMPS style 
Mar 11 2016
c80fb4b8ea06Axel Kohlmeyer
Merge branch 'pair-morse-smooth-linear-omp' of https://github. 
Mar 11 2016
b6355a077241Stefan Paquay
Done making changes. 
Mar 11 2016
e58b10fa8121Axel Kohlmeyer
fix bug in lj/charmm/coul/charmm reported on lammps-users 
Mar 11 2016
116403443ad2Axel Kohlmeyer
remove customization no longer needed when using fastdep 
Mar 6 2016
f37a13e6b0f9Axel Kohlmeyer
need to manually touch neighbor.cpp for packages providing custom neighbor… 
Feb 29 2016
c0779472855esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14446 f3b2605a-c512-4ea7… 
Jan 15 2016
02884d27131eAxel Kohlmeyer
remove tri/lj/omp due to data races. 
Jan 15 2016
6191b6515eafAxel Kohlmeyer
delete pair_style line/lj/omp in anticipation of it being broken with the next… 
Jan 15 2016
0939eb1ee963sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7… 
Dec 15 2015
de060a56ad58Axel Kohlmeyer
Merge branch 'merge-pull-22' into lammps-icms 
Dec 11 2015
526e5b74647eAxel Kohlmeyer
Merge branch 'pull-requests' of git://github.com/crtrott/lammps into merge-pull… 
Dec 11 2015
4099f540dd26crtrott
Fix an issue with usage of isfinite 
Dec 10 2015
86a4507b00c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7… 
Dec 10 2015
b2a75f111c35Axel Kohlmeyer
transfer updates from angle style dipole to dipole/omp 
Dec 10 2015
7bb39e299685Axel Kohlmeyer
move lj/cut/thole/long/omp into USER-OMP directory, so it is properly installed… 
Nov 24 2015
1e9a4cc4b808Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Oct 31 2015
354e20f43157sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14220 f3b2605a-c512-4ea7… 
Oct 30 2015
704936880c53Axel Kohlmeyer
consolidate timeout initialization into run/minimize commands 
Oct 25 2015
9be09f5ddf3aAxel Kohlmeyer
reimplement wallclock timeout in timer class instead of update. 
Oct 25 2015
cfbe572aa5a7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14173 f3b2605a-c512-4ea7… 
Oct 23 2015
cee848f94865sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14164 f3b2605a-c512-4ea7… 
Oct 23 2015
9a878cdd6718sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14128 f3b2605a-c512-4ea7… 
Oct 21 2015
bf26b12668a4athomps
Added vashishta to USER-OMP from Axel 
Oct 21 2015
719d04945290Axel Kohlmeyer
add OpenMP version of newly added vashishta potential 
Oct 16 2015
834731ddb4f4athomps
Propoaged SW cutoff fix into similar code elsewhere 
Oct 15 2015
6d2e43cb8016Axel Kohlmeyer
propagate aidan's bugfix to pair sw to other sw based styles. 
Oct 15 2015
99e3bbbb5031Axel Kohlmeyer
remove dead code 
Oct 15 2015
373c7faf5d0aAxel Kohlmeyer
add API to run fixes before the reverse communication following the force… 
Oct 14 2015
e423579d40f8Axel Kohlmeyer
detect and handle if number of threads has been changed 
Oct 14 2015
47dff86b8412Axel Kohlmeyer
remove dead code 
Oct 12 2015
f375bb68a4baAxel Kohlmeyer
propagate using time limit for multiple integrator and minimizer variants 
Oct 9 2015
5fa97f537abdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14092 f3b2605a-c512-4ea7… 
Oct 5 2015
56ee1b670b3bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14088 f3b2605a-c512-4ea7… 
Oct 5 2015
d423c1c994efAxel Kohlmeyer
remove redundant test 
Oct 3 2015
b15731f3f1e4Richard Berger
Init member correctly and use delete without redundant NULL check 
Oct 2 2015
aad9b19de0d1Axel Kohlmeyer
plug memory leak on thread data class 
Oct 1 2015
14afbbb1f0d6Axel Kohlmeyer
remove left over local const variable. 
Sep 30 2015
1583b88406b9Axel Kohlmeyer
plug memory leak and incorrect handling of pRNGs for changing number of threads… 
Sep 30 2015
6884d7dd2d02Axel Kohlmeyer
fix typo 
Sep 29 2015
1ee0f5e15d08Axel Kohlmeyer
remove dead code 
Sep 29 2015
e40595b2bc7bAxel Kohlmeyer
synchronize multi-full neighborlist for OpenMP with serial code. 
Sep 29 2015
70d3f68ab7e9Axel Kohlmeyer
fix typo detected by coverity scan 
Sep 29 2015
30a0f3cf5c7cAxel Kohlmeyer
remove ambiguity on else branch which implied npath == 4 
Sep 29 2015
3e53da15da85Axel Kohlmeyer
fix uninitialized type error in AIREBO 
Sep 28 2015
c8077dd2dea4Axel Kohlmeyer
correct cut-n-paste errors 
Sep 27 2015
474daec73e6dAxel Kohlmeyer
add missing parenthesis. fixes CID 151102. 
Sep 27 2015
9effcca0df71sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14025 f3b2605a-c512-4ea7… 
Sep 11 2015
62384bb1b8dbAxel Kohlmeyer
fix memory leak and NULL pointer dereference in dpd/omp and dpd/tstat/omp 
Sep 10 2015
c503b8736d38Axel Kohlmeyer
undo cosmetic differences between LAMMPS-ICMS and LAMMPS 
Sep 3 2015
77ab06d3eebaAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 1 2015
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