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Diffusion lammps (runner) Graph

lammps/src
runner

History Graph

CommitAuthorDetailsCommitted
50c38d886687Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 18 2015
fb2cb218c8efsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14383 f3b2605a-c512-4ea7… 
Dec 18 2015
71b325e52f5asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14382 f3b2605a-c512-4ea7… 
Dec 18 2015
7e9270e81384sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14381 f3b2605a-c512-4ea7… 
Dec 18 2015
f7e17e97e8f3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14379 f3b2605a-c512-4ea7… 
Dec 17 2015
bb6de06ecaefAxel Kohlmeyer
dead code removal 
Dec 16 2015
df7e89f9f7b4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14378 f3b2605a-c512-4ea7… 
Dec 16 2015
91b947f29c30Axel Kohlmeyer
undo best practices violation for headers in USER-PHONON 
Dec 16 2015
1aeecfb0cfcfAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 16 2015
8dff51d5c93csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14377 f3b2605a-c512-4ea7… 
Dec 16 2015
ead53bc9e7c6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14373 f3b2605a-c512-4ea7… 
Dec 15 2015
0939eb1ee963sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14372 f3b2605a-c512-4ea7… 
Dec 15 2015
5568b56ef299Axel Kohlmeyer
add check to fix SRP to print a warning, if it is pre-empted by other fixes 
Dec 15 2015
8621a02d0828Axel Kohlmeyer
incorporate workaround from christian for gcc 5.1 bug 
Dec 15 2015
e4897f9c7240Axel Kohlmeyer
honor LAMMPS_POTENTIALS consistently in COMB3 
Dec 14 2015
1713cdacf098Axel Kohlmeyer
remove unused variable 
Dec 12 2015
9195c252ee00Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 12 2015
9b01eec43697Axel Kohlmeyer
no need for atom types in coul/wolf/kk and coul/dsf/kk pair styles 
Dec 12 2015
6c5580af0221Axel Kohlmeyer
update makefile to be KOKKOS compatible 
Dec 12 2015
06370a8d7a7csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14363 f3b2605a-c512-4ea7… 
Dec 12 2015
aecaf0bf5293sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14360 f3b2605a-c512-4ea7… 
Dec 12 2015
921bcfb12d17athomps
Allowed non-full_energy with triclinic 
Dec 12 2015
762f48e52855sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14358 f3b2605a-c512-4ea7… 
Dec 11 2015
fc239af397cfAxel Kohlmeyer
silence compiler warnings. the code is correct. 
Dec 11 2015
4b7c09505437Axel Kohlmeyer
update permissions 
Dec 11 2015
3f82c0f5046aAxel Kohlmeyer
silence compiler warnings 
Dec 11 2015
de060a56ad58Axel Kohlmeyer
Merge branch 'merge-pull-22' into lammps-icms 
Dec 11 2015
5affb6c013bdAxel Kohlmeyer
Merge branch 'master' 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
c57fc903cf99crtrott
Kokkos: fix an issue with usage of DualView 
Dec 10 2015
d94f71a6a873sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14352 f3b2605a-c512-4ea7… 
Dec 10 2015
03a900697933sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14350 f3b2605a-c512-4ea7… 
Dec 10 2015
86a4507b00c1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14347 f3b2605a-c512-4ea7… 
Dec 10 2015
807e00de9333sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14346 f3b2605a-c512-4ea7… 
Dec 10 2015
59e5d3667165stamoor
Fixing region issue 
Dec 10 2015
b2a75f111c35Axel Kohlmeyer
transfer updates from angle style dipole to dipole/omp 
Dec 10 2015
e7d896a45938Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 10 2015
93919c35bf48sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14338 f3b2605a-c512-4ea7… 
Dec 9 2015
ab0107595639sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14336 f3b2605a-c512-4ea7… 
Dec 9 2015
704f170053c9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14335 f3b2605a-c512-4ea7… 
Dec 9 2015
82d5d73bbacdsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14334 f3b2605a-c512-4ea7… 
Dec 9 2015
493f9c469b7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14331 f3b2605a-c512-4ea7… 
Dec 9 2015
5146f1894faecrtrott
Kokkos: Fix again wrong usage of DualView 
Dec 9 2015
86b22bb8c990crtrott
Replacing use of isfinite with macro ISFINITE 
Dec 9 2015
9e70d356c2dccrtrott
Kokkos: Fix wrong usage of dual view in verlet_kokkos 
Dec 9 2015
b35aaf4e756acrtrott
Merge remote-tracking branch 'main/master' 
Dec 9 2015
11fe1e862de6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14322 f3b2605a-c512-4ea7… 
Dec 9 2015
90100b4eb02asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14319 f3b2605a-c512-4ea7… 
Dec 9 2015
c2db79391f9csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14318 f3b2605a-c512-4ea7… 
Dec 9 2015
21260340e42bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14317 f3b2605a-c512-4ea7… 
Dec 9 2015
a473a42a9c3csjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14308 f3b2605a-c512-4ea7… 
Dec 9 2015
1860c2d764a8sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14307 f3b2605a-c512-4ea7… 
Dec 9 2015
0010e7c7b6d9Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 9 2015
b13f9b8c675bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14301 f3b2605a-c512-4ea7… 
Dec 9 2015
6000ad1bb77bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14294 f3b2605a-c512-4ea7… 
Dec 9 2015
7e710a0fe3bfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14290 f3b2605a-c512-4ea7… 
Dec 9 2015
8446b8cc1b31Axel Kohlmeyer
Merge branch 'srp-refactor' into lammps-icms 
Dec 8 2015
4f2c55d12ed5Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 8 2015
9e4bb887aa36Axel Kohlmeyer
include bugfixes from tim sirk for pair srp to complete refactoring 
Dec 8 2015
32acf721464bathomps
Simplified non-overlap condition 
Dec 5 2015
9ae8b64f9a5cathomps
Cleaned up sna factorial table 
Dec 5 2015
5087bdb20c59athomps
prevented reorder from being used with fix gcmc 
Dec 5 2015
f7702fd7e388athomps
removed print statement 
Dec 5 2015
2271d9168e52athomps
Added missing normalization to vector case 
Dec 4 2015
d241f928c85bathomps
Fixed error in average option 
Dec 4 2015
28e3ebfd102eathomps
Fixed error in average option 
Dec 4 2015
d21bbb3efb20Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 4 2015
853eab89178fathomps
Fixed problem in column_length(int) 
Dec 3 2015
cda16b1bd3c3Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Dec 3 2015
ddc83f6ed0b4Axel Kohlmeyer
add paolo raiteri's contributions README 
Dec 3 2015
aac76184756bAxel Kohlmeyer
update paolo raiteri's code and docs to match LAMMPS' conventions. 
Dec 2 2015
f4523f2d8b37Axel Kohlmeyer
import contributed code from paolo raiteri into USER-MISC 
Dec 2 2015
2a9ea44bf8c7Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Dec 2 2015
00738a8baa2bathomps
Added average keyword 
Dec 2 2015
7edc6c212676Axel Kohlmeyer
code can run now from restart and data file with existing bond particles. 
Dec 2 2015
2b526801f4fdAxel Kohlmeyer
implement the always-delete approach to srp. also make bptype a possible input… 
Dec 1 2015
3ca986fc6ad9athomps
Fixed undefined tdof in setup 
Dec 1 2015
e99393473295sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14276 f3b2605a-c512-4ea7… 
Dec 1 2015
0927549df87dAxel Kohlmeyer
only add topology counts during the first pass of reading a data file. 
Nov 30 2015
7bb39e299685Axel Kohlmeyer
move lj/cut/thole/long/omp into USER-OMP directory, so it is properly installed… 
Nov 24 2015
9764280bb2f7Axel Kohlmeyer
Merge branch 'master' of git://github.com/jdevemy/lammps into merge-pull-20 
Nov 24 2015
fd127b82c458Julien Devemy
Add pair lj/cut/thole/long/omp 
Nov 24 2015
bfc3209b8dbdAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 21 2015
355ba86d8b8asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14271 f3b2605a-c512-4ea7… 
Nov 21 2015
b10ae0abaf08sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14270 f3b2605a-c512-4ea7… 
Nov 21 2015
25432292fbbfAxel Kohlmeyer
merge of remaining commits from upstream 
Nov 19 2015
b434d4718b61athomps/Axel Kohlmeyer
Changed the factorial table to static member 
Nov 19 2015
74269404e0c6Julien Devemy/Axel Kohlmeyer
write data bugfix 
Nov 19 2015
7c977081ba36Julien Devemy/Axel Kohlmeyer
compute scalar 
Nov 19 2015
aadb8de89b91Julien Devemy/Axel Kohlmeyer
Molecular template and bugfix is_reduced 
Nov 19 2015
75bbf481f509Julien Devemy
Molecular template and bugfix is_reduced 
Nov 19 2015
42b88f2fa2b3Julien Devemy
compute scalar 
Nov 19 2015
9d6c2bfbc4c9Julien Devemy
write data bugfix 
Nov 19 2015
77f8955d4ec4sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14266 f3b2605a-c512-4ea7… 
Nov 18 2015
f496b51d5653athomps
Changed the factorial table to static member 
Nov 18 2015
99c4b4cb2236sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@14258 f3b2605a-c512-4ea7… 
Nov 17 2015
c763fc92fe1cAxel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Nov 17 2015
27798d4f4ec5athomps
Updated compute hexorder/atom, added compute orientorder/atom 
Nov 17 2015
c28bd3c3ff2bathomps
Updated compute hexorder/atom, added compute orientorder/atom 
Nov 16 2015
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