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Diffusion lammps (runner) Graph

lammps/src
runner

History Graph

CommitAuthorDetailsCommitted
f64853170bb6sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12537 f3b2605a-c512-4ea7… 
Sep 25 2014
9482ac8cfe75sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12536 f3b2605a-c512-4ea7… 
Sep 25 2014
53467a25ef19sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12535 f3b2605a-c512-4ea7… 
Sep 24 2014
f62127f3739dsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12534 f3b2605a-c512-4ea7… 
Sep 24 2014
463db5858357athomps
Made line quadratic default and changed backtrack alpha zero check to be more… 
Sep 24 2014
f45b388d1246stamoor
Fixing a bug in the kspace error estimator for triclinic systems 
Sep 24 2014
5d12a8fdab22sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12528 f3b2605a-c512-4ea7… 
Sep 23 2014
80c69a6b5654sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12526 f3b2605a-c512-4ea7… 
Sep 23 2014
c560bd50cb16sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12525 f3b2605a-c512-4ea7… 
Sep 23 2014
3091e09e61c6Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 20 2014
45223c452c84athomps
Updated diagnostics 
Sep 19 2014
7ce215970b4bathomps
Changed comment 
Sep 19 2014
d76a263ca74bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12521 f3b2605a-c512-4ea7… 
Sep 18 2014
bda37b7c9873sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12518 f3b2605a-c512-4ea7… 
Sep 18 2014
4ce180cbe2a3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12515 f3b2605a-c512-4ea7… 
Sep 18 2014
39373a22c3b5sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12513 f3b2605a-c512-4ea7… 
Sep 18 2014
715e7685edcfAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 18 2014
e17948a19545sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12512 f3b2605a-c512-4ea7… 
Sep 17 2014
fab9de6eb305Axel Kohlmeyer
align help output format 
Sep 13 2014
3bc2efeb8c4dAxel Kohlmeyer
remove some dead code in SNAP potential implementation 
Sep 13 2014
13985955e6a2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Sep 13 2014
71993fa5c7a7Axel Kohlmeyer
import r-RESPA compatible fix recenter from mailing list 
Sep 13 2014
ed9b130d6e40athomps
Added LAMMPS headers 
Sep 13 2014
16864ce4e3c7sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12507 f3b2605a-c512-4ea7… 
Sep 12 2014
4dd1b4fc6534sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12506 f3b2605a-c512-4ea7… 
Sep 12 2014
e162a292b673Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 12 2014
1ddb9ab14852sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12500 f3b2605a-c512-4ea7… 
Sep 11 2014
fb2b228ac987sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12483 f3b2605a-c512-4ea7… 
Sep 11 2014
853f7be70012sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12481 f3b2605a-c512-4ea7… 
Sep 11 2014
052a84f81d89Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 11 2014
90d0ffba1dd2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12480 f3b2605a-c512-4ea7… 
Sep 11 2014
7f8da4e667ecsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12479 f3b2605a-c512-4ea7… 
Sep 11 2014
5c05d14e2133sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12478 f3b2605a-c512-4ea7… 
Sep 10 2014
502ef1f93143sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12477 f3b2605a-c512-4ea7… 
Sep 10 2014
d76e6e3fa34fAxel Kohlmeyer
additional bugfix from daniel 
Sep 10 2014
58a11d6bc2ebsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12474 f3b2605a-c512-4ea7… 
Sep 10 2014
0eb045dc6a13sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12471 f3b2605a-c512-4ea7… 
Sep 10 2014
fbad8a44c845sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12470 f3b2605a-c512-4ea7… 
Sep 10 2014
8a80ed461256sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12469 f3b2605a-c512-4ea7… 
Sep 10 2014
7728d4ecea7asjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12468 f3b2605a-c512-4ea7… 
Sep 10 2014
2424201d960fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12467 f3b2605a-c512-4ea7… 
Sep 10 2014
3267e4972230Axel Kohlmeyer
reintroduce 64-bit pointer bugfix for compute voronoi/atom 
Sep 10 2014
d52414244a9cAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 10 2014
f864979cdd9bsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12463 f3b2605a-c512-4ea7… 
Sep 10 2014
f9684d5076fcsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12459 f3b2605a-c512-4ea7… 
Sep 10 2014
4374200a779esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12458 f3b2605a-c512-4ea7… 
Sep 10 2014
b57945c40e38sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12457 f3b2605a-c512-4ea7… 
Sep 9 2014
b843c808a503sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12455 f3b2605a-c512-4ea7… 
Sep 9 2014
4f3c884aaac3athomps
Changed optimized default to 1 
Sep 9 2014
adcd5949c794Axel Kohlmeyer
make optimized the default. stronger argument checking. 
Sep 9 2014
334f57f7f3easjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12452 f3b2605a-c512-4ea7… 
Sep 9 2014
ac246386d0ddsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12449 f3b2605a-c512-4ea7… 
Sep 9 2014
e898a2c91b33sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12448 f3b2605a-c512-4ea7… 
Sep 9 2014
c9c83405ab90sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12447 f3b2605a-c512-4ea7… 
Sep 9 2014
76de3ce36a37Axel Kohlmeyer
update list of files to ignore 
Sep 9 2014
db16ce277a8eAxel Kohlmeyer
more SNAP cleanup. respect $LAMMPS_POTENTIALS. fix memory leak. 
Sep 9 2014
b6bef976ba5dAxel Kohlmeyer
remove dead code and fix printf format error 
Sep 9 2014
f977c2663f1bAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 9 2014
1a4c75e8e57bathomps
Added Axel's changes to the OMP parts 
Sep 8 2014
96732223f85fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12443 f3b2605a-c512-4ea7… 
Sep 8 2014
a03b2c0add50Axel Kohlmeyer
Merge branch 'lammps-icms' of bitbucket.org:akohlmey/lammps-icms into lammps… 
Sep 8 2014
dddce684e11fAxel Kohlmeyer
bugfix for issue reported on lammps-users by mike skarlinski 
Sep 8 2014
486b7a6f9008Axel Kohlmeyer
import update by Daniel Schwen posted on lammps-users 
Sep 8 2014
a0b94e9053fasjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12434 f3b2605a-c512-4ea7… 
Sep 8 2014
bcb5c5a6e515sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12433 f3b2605a-c512-4ea7… 
Sep 8 2014
b478aebd4aebAxel Kohlmeyer
update list of ignored files 
Sep 7 2014
dc3d8189c792Axel Kohlmeyer
remove broken files that are not likely to be completed 
Sep 7 2014
ae4503e6a6c4Axel Kohlmeyer
fix out-of-bound array access for triclinic boxes 
Sep 6 2014
f0dc64c8157fAxel Kohlmeyer
clean up SNAP implementation to compile cleanly with OpenMP and without 
Sep 6 2014
d12eca24b839Axel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 6 2014
d4e1503e81fbsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12429 f3b2605a-c512-4ea7… 
Sep 6 2014
af21769abebfsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12425 f3b2605a-c512-4ea7… 
Sep 6 2014
f29fa0abfb99sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12417 f3b2605a-c512-4ea7… 
Sep 5 2014
f05bbe48ae12sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12416 f3b2605a-c512-4ea7… 
Sep 5 2014
ed06a4859ee3sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12413 f3b2605a-c512-4ea7… 
Sep 5 2014
2a24e947f5d1sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12412 f3b2605a-c512-4ea7… 
Sep 5 2014
1fc5efe31e17sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12411 f3b2605a-c512-4ea7… 
Sep 5 2014
4a95e6911174sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12410 f3b2605a-c512-4ea7… 
Sep 5 2014
31509b75280esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12409 f3b2605a-c512-4ea7… 
Sep 5 2014
777e82995de2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12406 f3b2605a-c512-4ea7… 
Sep 5 2014
f6c0d4fec3e9sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12405 f3b2605a-c512-4ea7… 
Sep 5 2014
fcc58a2b65f3Axel Kohlmeyer
another one-line fix for compiling USER-CUDA 
Sep 5 2014
c5b97753e28eAxel Kohlmeyer
try to fix USER-CUDA compile time error 
Sep 5 2014
cc2d0fa680c2Axel Kohlmeyer
import the latest USER-INTEL updates from mike brown 
Sep 5 2014
5eae3037f631Axel Kohlmeyer
workaround for occasional neighborlists with GPU pair_styles 
Sep 2 2014
5686267236dbAxel Kohlmeyer
Merge remote branch 'lammps-ro/master' into lammps-icms 
Sep 2 2014
e4cfa1863b97Axel Kohlmeyer
import GPU support fix for USER-FEP from trung 
Sep 1 2014
d01c12f754eesjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12383 f3b2605a-c512-4ea7… 
Aug 29 2014
cb96e492e504Axel Kohlmeyer
make check for charge property consistent across the two reaxff implementations 
Aug 29 2014
5ce0ccaa23d9Axel Kohlmeyer
fix bug with inconsistent counting of deleted dihedrals. 
Aug 29 2014
5a518e74da82sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12382 f3b2605a-c512-4ea7… 
Aug 29 2014
954ff2528f64Axel Kohlmeyer
apply bugfix from sergey litvinov for image interface to jpg 
Aug 29 2014
7d7bcb158784Axel Kohlmeyer
write out disabled dihedral types similar to bond and others. 
Aug 29 2014
6568e9d33db8Axel Kohlmeyer
insert missing braces for correct logic when no logfile is used 
Aug 29 2014
8277217db6d2Axel Kohlmeyer
Merge remote-tracking branch 'lammps-ro/master' into lammps-icms 
Aug 28 2014
ead27110500esjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12376 f3b2605a-c512-4ea7… 
Aug 27 2014
2f27eabe1be7Axel Kohlmeyer
anticipate changes from patches 27 & 28 Aug 2014 
Aug 27 2014
dc5ad107ada0sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12373 f3b2605a-c512-4ea7… 
Aug 27 2014
71f5c17f676fsjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12368 f3b2605a-c512-4ea7… 
Aug 27 2014
d9f92faf40f2sjplimp
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@12365 f3b2605a-c512-4ea7… 
Aug 27 2014
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