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Diffusion lammps (lammm-master-deprecated) Graph

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

History Graph

CommitAuthorDetailsCommitted
9ca0fa9029beAxel Kohlmeyer
make pair style tersoff/table/omp thread safe 
Apr 5 2014
fb8250afd705Axel Kohlmeyer
need to use thread-safe accumulator for collecting pair energy 
Apr 5 2014
1772fc673967Axel Kohlmeyer
silence some warnings and make code more obvious 
Apr 5 2014
ce9b5d2f3fa3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11702 f3b2605a-c512-4ea7… 
Apr 4 2014
0de9e4252ba7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11701 f3b2605a-c512-4ea7… 
Apr 4 2014
1646c124b1c3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11700 f3b2605a-c512-4ea7… 
Apr 4 2014
3e9c22df2465sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11699 f3b2605a-c512-4ea7… 
Apr 4 2014
34389413124eAxel Kohlmeyer
update comment 
Apr 2 2014
b46de6ef1dbfAxel Kohlmeyer
fix bugs introduced when maxtouch was made dynamic 
Apr 2 2014
430aed042a86Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Mar 20 2014
d54bd651a3d1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11646 f3b2605a-c512-4ea7… 
Mar 19 2014
7ed4a5d48a5fAxel Kohlmeyer
reinstate code that needed to be deleted in upstream only 
Feb 27 2014
53fef3f3a372Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Feb 27 2014
1f01bb69b998sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11578 f3b2605a-c512-4ea7… 
Feb 26 2014
2707ba954766Axel Kohlmeyer
undo bogus bugfix that unfixes a bugfix 
Feb 17 2014
83de2a63b679Axel Kohlmeyer
report OpenMP bug reported in msm/omp 
Feb 17 2014
61af28265478Axel Kohlmeyer
move open_potential() from pair.cpp to force.cpp and extend to bonds/angles 
Feb 14 2014
958a442bebbesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11539 f3b2605a-c512-4ea7… 
Feb 12 2014
396e7165aebcAxel Kohlmeyer
various small cleanups and bugfixes found by checking warnings from clang 
Feb 9 2014
f1feacdafd31Axel Kohlmeyer
fix some trivial formatting issues flagged by clang++ 
Feb 7 2014
47f42c2a5507sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11419 f3b2605a-c512-4ea7… 
Jan 31 2014
748dcbcb5b84Axel Kohlmeyer
bugfix for computing forces in dreiding hbond pair styles 
Jan 31 2014
823675d6be56sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11416 f3b2605a-c512-4ea7… 
Jan 31 2014
170ff252dbe6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11407 f3b2605a-c512-4ea7… 
Jan 30 2014
d2af99f2c50aAxel Kohlmeyer
port remaining multi-threaded neighbor list code to atom style template 
Jan 30 2014
41ba4c7ea765Axel Kohlmeyer
more porting of template support to threaded neighbor lists 
Jan 30 2014
4302d3427660Axel Kohlmeyer
start porting changes to support atom_style template to USER-OMP 
Jan 30 2014
bea87398b383Axel Kohlmeyer
update format strings for bond, dihedral and improper warnings that use tags 
Jan 28 2014
961d9171eb9aAxel Kohlmeyer
update hbond/dreiding/*/omp for the latest upstream changes 
Jan 28 2014
0750213978f2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 28 2014
7e5b15bb90c4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11345 f3b2605a-c512-4ea7… 
Jan 27 2014
f29d16e0323cAxel Kohlmeyer
carry over changes from upstream 
Jan 27 2014
418e9cf0bb62sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11306 f3b2605a-c512-4ea7… 
Jan 24 2014
36176a9eb9dfAxel Kohlmeyer
fixes to compile USER-OMP with -DLAMMPS_BIGBIG 
Jan 24 2014
979c5746a06cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 23 2014
48f417e21918sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11294 f3b2605a-c512-4ea7… 
Jan 22 2014
127eb167c116sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11293 f3b2605a-c512-4ea7… 
Jan 22 2014
083b517cb002Axel Kohlmeyer
anticipate uplevel bugfix to r-RESPA 
Jan 22 2014
4db641a9f03csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11284 f3b2605a-c512-4ea7… 
Jan 21 2014
b26cc714c298sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11282 f3b2605a-c512-4ea7… 
Jan 21 2014
46e8e6c12078Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 18 2014
cb1ad361fbf0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11256 f3b2605a-c512-4ea7… 
Jan 17 2014
a6ca3cab542cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Jan 17 2014
a1ef01fc1ae2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11243 f3b2605a-c512-4ea7… 
Jan 14 2014
f9ac6293ec59Axel Kohlmeyer
fix bug found by paul coffman 
Jan 8 2014
05867c27426aAxel Kohlmeyer
fix bug in lj/sf reported by juerg diemand 
Dec 19 2013
1f844fd910e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@11054 f3b2605a-c512-4ea7… 
Nov 25 2013
356e22265490Axel Kohlmeyer
bufixes for angle style quartic 
Nov 23 2013
e51b1faae0bbAxel Kohlmeyer
restore some changes that got dropped in the last merge 
Oct 31 2013
cad4e3266db9Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Oct 31 2013
0fa3867f3437sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10907 f3b2605a-c512-4ea7… 
Oct 30 2013
2c0da2324edbAxel Kohlmeyer
remove comment that is not needed 
Oct 17 2013
f3facd747c77Axel Kohlmeyer
remove statement without effect 
Oct 17 2013
ab49ee4f1914Axel Kohlmeyer
fix embarrassing bug in unrolled force reduction 
Oct 17 2013
ac35c46950a9Axel Kohlmeyer
add coul/dsf/omp pair styles 
Oct 5 2013
38952a636910Axel Kohlmeyer
remove unused variables 
Oct 5 2013
2b9713284c4bAxel Kohlmeyer
remove excess whitespace 
Oct 5 2013
0cc56656db65Axel Kohlmeyer
added tersoff/omp style 
Oct 5 2013
2fed2809291bAxel Kohlmeyer
add zbl/omp pair style 
Oct 5 2013
0a7fbe653a26Axel Kohlmeyer
include explicit 8x loop unrolling for faster thread data reduction 
Oct 4 2013
21442a6221c3Axel Kohlmeyer
complete implementation of nm/cut styles for USER-OMP 
Oct 3 2013
fee8a8b3a68eAxel Kohlmeyer
add more nm/cut pair styles for USER-OMP (still incomplete) 
Oct 3 2013
995ec050cee4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10824 f3b2605a-c512-4ea7… 
Sep 23 2013
1348d729e811Axel Kohlmeyer
bugfix for multi-threaded execution of pair style adp 
Sep 21 2013
93ddb4b0e8dbAxel Kohlmeyer
include proposed bugfix by rolf for per-atom computes with r-RESPA 
Aug 30 2013
8bc98421d7cbAxel Kohlmeyer
make code compile again 
Aug 10 2013
7c7617f7e5ecAxel Kohlmeyer
only update the charged particles list after reneighboring 
Aug 3 2013
5b2056130a88Axel Kohlmeyer
add serial and mt version of pppm/tip4p/cg 
Aug 1 2013
641726ecd753sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10478 f3b2605a-c512-4ea7… 
Jul 30 2013
883553303ef5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10477 f3b2605a-c512-4ea7… 
Jul 30 2013
2b6468d976cdAxel Kohlmeyer
more timer tweaks and simplifications 
Jul 28 2013
f33aa0ad2d51Axel Kohlmeyer
convert to using the Timer class in ThrData instead of rolling out own 
Jul 28 2013
f086c6d5fbafsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10417 f3b2605a-c512-4ea7… 
Jul 26 2013
e131e2a141a4Axel Kohlmeyer
make sure everything compiles again 
Jul 26 2013
609842916cc0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10392 f3b2605a-c512-4ea7… 
Jul 26 2013
1bc62d40b215Axel Kohlmeyer
more mostly cosmetic issues found by clang 
Jul 24 2013
980446c6467aAxel Kohlmeyer
handle clang warnings 
Jul 24 2013
6884feef2ceesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10318 f3b2605a-c512-4ea7… 
Jul 24 2013
45df2c2d3e0dAxel Kohlmeyer
adapt to changes from upstream 
Jul 24 2013
ad2266e4bf6bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10292 f3b2605a-c512-4ea7… 
Jul 23 2013
00d46d8490f7Axel Kohlmeyer
added /omp version of tip4p/cut 
Jul 23 2013
d255952ed9f3Axel Kohlmeyer
correct error messages and docs. add /omp version for tip4p/long 
Jul 22 2013
ccb9b30c99c3Axel Kohlmeyer
some more clang inspired cleanups 
Jul 19 2013
66eb2d03100cAxel Kohlmeyer
fix typo 
Jul 18 2013
7e3328a2a717Axel Kohlmeyer
remove unused variables and class members, initialize where needed. 
Jul 18 2013
f76f5ecebed5Axel Kohlmeyer
make sure evdwl is properly initialized 
Jul 18 2013
7887ffed73b3Axel Kohlmeyer
remove unused variables 
Jul 13 2013
9c9f752b3bb7Axel Kohlmeyer
silence some warnings, remove dead code 
Jul 13 2013
b249ce65f60cAxel Kohlmeyer
add thread timers to MSM /omp styles 
Jul 9 2013
89efd487b1e9Axel Kohlmeyer
Merge branch 'mypage' into lammps-icms 
Jul 9 2013
f1e9f799b067Axel Kohlmeyer
add timer support for kspace styles 
Jul 8 2013
60d49a7aad50sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10230 f3b2605a-c512-4ea7… 
Jul 8 2013
3f77fae0b22eAxel Kohlmeyer
add per thread timing for bonded interactions 
Jul 8 2013
f6ac56bfa0fdAxel Kohlmeyer
add per thread timer calls to pair styles 
Jul 8 2013
f188305cd903Axel Kohlmeyer
include neighbor list per thread timing 
Jul 8 2013
632b105572bbAxel Kohlmeyer
stop using clock_gettime() since it seems to be horribly inconsistent 
Jul 8 2013
40319752ad79sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10227 f3b2605a-c512-4ea7… 
Jul 8 2013
287c73c02f15Axel Kohlmeyer
more consistent handling of timer info 
Jul 8 2013
3c289419b0dfAxel Kohlmeyer
clean up MyPage API to go without public variables and use aligned malloc 
Jul 8 2013
d8dec88599b9Axel Kohlmeyer
bugfix for comb/omp 
Jul 7 2013
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